4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine

C18H27N7 — CID 138501523

IUPAC4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine
SMILESC[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C18H27N7/c1-14(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/h4-7,12,14H,8-11,13H2,1-3H3,(H2,19,21,22)/t14-/m0/s1
InChIKeyZOLDNDPAVBWWOE-AWEZNQCLSA-N
MW341.46 g/mol
LogP1.40
Rot. Bonds5

About 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-amine (PubChem CID 138501523) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine
PubChem CID138501523
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine
SMILESC[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C18H27N7/c1-14(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/h4-7,12,14H,8-11,13H2,1-3H3,(H2,19,21,22)/t14-/m0/s1
InChIKeyZOLDNDPAVBWWOE-AWEZNQCLSA-N
XLogP1.40
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
CID 138501798
[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
4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine
CID 24797695
[4-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol
CID 138501521
(1R)-N-methyl-N-[(1-methylindol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 95133375
4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 59777251
6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78910390
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879
4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 95121436

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine (CID 138501523) is 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine is C[C@@H](c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is ZOLDNDPAVBWWOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N7/c1-14(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/h4-7,12,14H,8-11,13H2,1-3H3,(H2,19,21,22)/t14-/m0/s1.
What are the key properties of 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-amine has a molecular weight of 341.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 138501523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).