2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine

C84H140F3N25O — CID 162062219

IUPAC2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)c1ccnc(N2CCN(C(=O)N(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@H](C)C2)n1
InChIInChI=1S/2C15H26N4.C14H21F3N4.C14H23N5O.2C13H22N4/c2*1-11(2)14-6-7-16-15(17-14)18-8-9-19(12(3)4)13(5)10-18;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)12-5-6-15-13(16-12)18-7-9-19(10-8-18)14(20)17(3)4;2*1-10(2)12-5-6-14-13(15-12)17-8-7-16(4)11(3)9-17/h2*6-7,11-13H,8-10H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,11H,7-10H2,1-4H3;2*5-6,10-11H,7-9H2,1-4H3/t2*13-;;;2*11-/m10..10/s1
InChIKeyYZZKSJPQNOWDMR-KGYCSUBESA-N
MW1573.21 g/mol
LogP12.59
Rot. Bonds15

About 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine

2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 162062219) has the molecular formula C84H140F3N25O and a molecular weight of 1573.21 g/mol. Its IUPAC name is 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
PubChem CID162062219
Molecular FormulaC84H140F3N25O
Molecular Weight1573.21 g/mol
Exact Mass1572.16
IUPAC Name2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)c1ccnc(N2CCN(C(=O)N(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@H](C)C2)n1
InChIInChI=1S/2C15H26N4.C14H21F3N4.C14H23N5O.2C13H22N4/c2*1-11(2)14-6-7-16-15(17-14)18-8-9-19(12(3)4)13(5)10-18;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)12-5-6-15-13(16-12)18-7-9-19(10-8-18)14(20)17(3)4;2*1-10(2)12-5-6-14-13(15-12)17-8-7-16(4)11(3)9-17/h2*6-7,11-13H,8-10H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,11H,7-10H2,1-4H3;2*5-6,10-11H,7-9H2,1-4H3/t2*13-;;;2*11-/m10..10/s1
InChIKeyYZZKSJPQNOWDMR-KGYCSUBESA-N
XLogP12.59
TPSA213.87 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.21
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine (CID 162062219) is 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine is CC(C)c1ccnc(N2CCN(C(=O)N(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@H](C)C2)n1.
What is the InChIKey of 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is YZZKSJPQNOWDMR-KGYCSUBESA-N. The full InChI is InChI=1S/2C15H26N4.C14H21F3N4.C14H23N5O.2C13H22N4/c2*1-11(2)14-6-7-16-15(17-14)18-8-9-19(12(3)4)13(5)10-18;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)12-5-6-15-13(16-12)18-7-9-19(10-8-18)14(20)17(3)4;2*1-10(2)12-5-6-14-13(15-12)17-8-7-16(4)11(3)9-17/h2*6-7,11-13H,8-10H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,11H,7-10H2,1-4H3;2*5-6,10-11H,7-9H2,1-4H3/t2*13-;;;2*11-/m10..10/s1.
What are the key properties of 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 1573.21 g/mol, XLogP of 12.59, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 162062219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).