[(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone

C19H27N7O — CID 95821700

IUPAC[(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESCc1nc(Nc2cc(C)[nH]n2)cc([C@@H]2CCCN2C(=O)[C@@H]2CCCCN2)n1
InChIInChI=1S/C19H27N7O/c1-12-10-18(25-24-12)23-17-11-15(21-13(2)22-17)16-7-5-9-26(16)19(27)14-6-3-4-8-20-14/h10-11,14,16,20H,3-9H2,1-2H3,(H2,21,22,23,24,25)/t14-,16-/m0/s1
InChIKeyWEVCWGVPYOMIAT-HOCLYGCPSA-N
MW369.47 g/mol
LogP2.37
Rot. Bonds4

About [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone

[(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone (PubChem CID 95821700) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
PubChem CID95821700
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name[(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESCc1nc(Nc2cc(C)[nH]n2)cc([C@@H]2CCCN2C(=O)[C@@H]2CCCCN2)n1
InChIInChI=1S/C19H27N7O/c1-12-10-18(25-24-12)23-17-11-15(21-13(2)22-17)16-7-5-9-26(16)19(27)14-6-3-4-8-20-14/h10-11,14,16,20H,3-9H2,1-2H3,(H2,21,22,23,24,25)/t14-,16-/m0/s1
InChIKeyWEVCWGVPYOMIAT-HOCLYGCPSA-N
XLogP2.37
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
[(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 95821699
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
tert-butyl N-[1-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidine-1-carbonyl]cyclohexyl]carbamate
CID 125001249
[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110255875
[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 125009366
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255904
cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124962814
2-hydroxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820622
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124973727

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone (CID 95821700) is [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone is Cc1nc(Nc2cc(C)[nH]n2)cc([C@@H]2CCCN2C(=O)[C@@H]2CCCCN2)n1.
What is the InChIKey of [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The InChIKey is WEVCWGVPYOMIAT-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H27N7O/c1-12-10-18(25-24-12)23-17-11-15(21-13(2)22-17)16-7-5-9-26(16)19(27)14-6-3-4-8-20-14/h10-11,14,16,20H,3-9H2,1-2H3,(H2,21,22,23,24,25)/t14-,16-/m0/s1.
What are the key properties of [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
[(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 95821700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).