[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol

C118H175N37O4 — CID 158936970

IUPAC[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol
SMILESCCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)[C@@H](C)c1ccccn1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(CO)n1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(N)n1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN3CCC[C@@H]3C2)nc(CO)n1.Cc1nc(CN(C)[C@@H](C)c2ccccn2)c(CO)c(N2CCN(C)CC2)n1.Cc1nc(CN(C)[C@@H](C)c2ccccn2)cc(N2CCN(C)CC2CO)n1
InChIInChI=1S/C21H30N6O.2C20H30N6O.C20H30N6.C19H28N6O.C18H27N7/c1-16(19-7-3-4-8-22-19)25(2)13-17-12-21(24-20(15-28)23-17)27-11-10-26-9-5-6-18(26)14-27;1-15(18-7-5-6-8-21-18)25(4)13-19-17(14-27)20(23-16(2)22-19)26-11-9-24(3)10-12-26;1-15(19-7-5-6-8-21-19)25(4)12-17-11-20(23-16(2)22-17)26-10-9-24(3)13-18(26)14-27;1-5-25(16(2)19-8-6-7-9-21-19)15-18-14-20(23-17(3)22-18)26-12-10-24(4)11-13-26;1-15(17-6-4-5-7-20-17)24(3)13-16-12-19(22-18(14-26)21-16)25-10-8-23(2)9-11-25;1-14(16-6-4-5-7-20-16)24(3)13-15-12-17(22-18(19)21-15)25-10-8-23(2)9-11-25/h3-4,7-8,12,16,18,28H,5-6,9-11,13-15H2,1-2H3;5-8,15,27H,9-14H2,1-4H3;5-8,11,15,18,27H,9-10,12-14H2,1-4H3;6-9,14,16H,5,10-13,15H2,1-4H3;4-7,12,15,26H,8-11,13-14H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3,(H2,19,21,22)/t16-,18+;15-;15-,18?;16-;15-;14-/m000000/s1
InChIKeyJJTSBBWOWPDBRD-DHBJJMLTSA-N
MW2175.95 g/mol
LogP10.17
Rot. Bonds35

About [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol

[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol (PubChem CID 158936970) has the molecular formula C118H175N37O4 and a molecular weight of 2175.95 g/mol. Its IUPAC name is [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol
PubChem CID158936970
Molecular FormulaC118H175N37O4
Molecular Weight2175.95 g/mol
Exact Mass2174.46
IUPAC Name[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol
SMILESCCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)[C@@H](C)c1ccccn1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(CO)n1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(N)n1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN3CCC[C@@H]3C2)nc(CO)n1.Cc1nc(CN(C)[C@@H](C)c2ccccn2)c(CO)c(N2CCN(C)CC2)n1.Cc1nc(CN(C)[C@@H](C)c2ccccn2)cc(N2CCN(C)CC2CO)n1
InChIInChI=1S/C21H30N6O.2C20H30N6O.C20H30N6.C19H28N6O.C18H27N7/c1-16(19-7-3-4-8-22-19)25(2)13-17-12-21(24-20(15-28)23-17)27-11-10-26-9-5-6-18(26)14-27;1-15(18-7-5-6-8-21-18)25(4)13-19-17(14-27)20(23-16(2)22-19)26-11-9-24(3)10-12-26;1-15(19-7-5-6-8-21-19)25(4)12-17-11-20(23-16(2)22-17)26-10-9-24(3)13-18(26)14-27;1-5-25(16(2)19-8-6-7-9-21-19)15-18-14-20(23-17(3)22-18)26-12-10-24(4)11-13-26;1-15(17-6-4-5-7-20-17)24(3)13-16-12-19(22-18(14-26)21-16)25-10-8-23(2)9-11-25;1-14(16-6-4-5-7-20-16)24(3)13-15-12-17(22-18(19)21-15)25-10-8-23(2)9-11-25/h3-4,7-8,12,16,18,28H,5-6,9-11,13-15H2,1-2H3;5-8,15,27H,9-14H2,1-4H3;5-8,11,15,18,27H,9-10,12-14H2,1-4H3;6-9,14,16H,5,10-13,15H2,1-4H3;4-7,12,15,26H,8-11,13-14H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3,(H2,19,21,22)/t16-,18+;15-;15-,18?;16-;15-;14-/m000000/s1
InChIKeyJJTSBBWOWPDBRD-DHBJJMLTSA-N
XLogP10.17
TPSA397.28 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds35
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002175.95
LogP ≤ 510.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine
CID 138501523
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
CID 138501798
[4-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol
CID 138501521
[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol
CID 138501488
N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 158348580
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
(8S)-N-methyl-N-[[2-methyl-6-(4-piperazin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501518
2-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylpyrimidin-2-yl]phenol
CID 137030213
8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
CID 154608467
[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
CID 138501511
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297

Frequently Asked Questions

What is the IUPAC name of [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol (CID 158936970) is [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol is CCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)[C@@H](C)c1ccccn1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(CO)n1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(N)n1.C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN3CCC[C@@H]3C2)nc(CO)n1.Cc1nc(CN(C)[C@@H](C)c2ccccn2)c(CO)c(N2CCN(C)CC2)n1.Cc1nc(CN(C)[C@@H](C)c2ccccn2)cc(N2CCN(C)CC2CO)n1.
What is the InChIKey of [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol?
The InChIKey is JJTSBBWOWPDBRD-DHBJJMLTSA-N. The full InChI is InChI=1S/C21H30N6O.2C20H30N6O.C20H30N6.C19H28N6O.C18H27N7/c1-16(19-7-3-4-8-22-19)25(2)13-17-12-21(24-20(15-28)23-17)27-11-10-26-9-5-6-18(26)14-27;1-15(18-7-5-6-8-21-18)25(4)13-19-17(14-27)20(23-16(2)22-19)26-11-9-24(3)10-12-26;1-15(19-7-5-6-8-21-19)25(4)12-17-11-20(23-16(2)22-17)26-10-9-24(3)13-18(26)14-27;1-5-25(16(2)19-8-6-7-9-21-19)15-18-14-20(23-17(3)22-18)26-12-10-24(4)11-13-26;1-15(17-6-4-5-7-20-17)24(3)13-16-12-19(22-18(14-26)21-16)25-10-8-23(2)9-11-25;1-14(16-6-4-5-7-20-16)24(3)13-15-12-17(22-18(19)21-15)25-10-8-23(2)9-11-25/h3-4,7-8,12,16,18,28H,5-6,9-11,13-15H2,1-2H3;5-8,15,27H,9-14H2,1-4H3;5-8,11,15,18,27H,9-10,12-14H2,1-4H3;6-9,14,16H,5,10-13,15H2,1-4H3;4-7,12,15,26H,8-11,13-14H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3,(H2,19,21,22)/t16-,18+;15-;15-,18?;16-;15-;14-/m000000/s1.
What are the key properties of [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol?
[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol has a molecular weight of 2175.95 g/mol, XLogP of 10.17, 35 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 158936970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).