2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine

C20H31N7O2S — CID 124995206

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(C[C@@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C20H31N7O2S/c1-15-11-20(25-24-15)23-19-13-18(21-16(2)22-19)12-17-7-6-10-27(14-17)30(28,29)26-8-4-3-5-9-26/h11,13,17H,3-10,12,14H2,1-2H3,(H2,21,22,23,24,25)/t17-/m0/s1
InChIKeyQKHRBXYJHDVTNZ-KRWDZBQOSA-N
MW433.58 g/mol
LogP2.55
Rot. Bonds6

About 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 124995206) has the molecular formula C20H31N7O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID124995206
Molecular FormulaC20H31N7O2S
Molecular Weight433.58 g/mol
Exact Mass433.23
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(C[C@@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C20H31N7O2S/c1-15-11-20(25-24-15)23-19-13-18(21-16(2)22-19)12-17-7-6-10-27(14-17)30(28,29)26-8-4-3-5-9-26/h11,13,17H,3-10,12,14H2,1-2H3,(H2,21,22,23,24,25)/t17-/m0/s1
InChIKeyQKHRBXYJHDVTNZ-KRWDZBQOSA-N
XLogP2.55
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124962814
[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 124964141
2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110096699
N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide
CID 110096693
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 125004087
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110096214
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842141
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine (CID 124995206) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine is Cc1nc(C[C@@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)cc(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is QKHRBXYJHDVTNZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N7O2S/c1-15-11-20(25-24-15)23-19-13-18(21-16(2)22-19)12-17-7-6-10-27(14-17)30(28,29)26-8-4-3-5-9-26/h11,13,17H,3-10,12,14H2,1-2H3,(H2,21,22,23,24,25)/t17-/m0/s1.
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 433.58 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 124995206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).