(3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

C17H19N5O — CID 97069290

IUPAC(3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1cc(N[C@H]2CCN(C3CC3)C2=O)nc(-c2ccccn2)n1
InChIInChI=1S/C17H19N5O/c1-11-10-15(21-16(19-11)13-4-2-3-8-18-13)20-14-7-9-22(17(14)23)12-5-6-12/h2-4,8,10,12,14H,5-7,9H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyBVRUAPVFXADLLY-AWEZNQCLSA-N
MW309.37 g/mol
LogP2.02
Rot. Bonds4

About (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

(3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 97069290) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID97069290
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1cc(N[C@H]2CCN(C3CC3)C2=O)nc(-c2ccccn2)n1
InChIInChI=1S/C17H19N5O/c1-11-10-15(21-16(19-11)13-4-2-3-8-18-13)20-14-7-9-22(17(14)23)12-5-6-12/h2-4,8,10,12,14H,5-7,9H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyBVRUAPVFXADLLY-AWEZNQCLSA-N
XLogP2.02
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 95785042
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 97218088
N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 97217829
[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
CID 67136127
N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 22732468
4-[3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1,4-dihydropyrazol-5-one
CID 131962566
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 166196115
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133348579
N-(1-cyclopentylpyrrolidin-3-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 127299851
4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 126819355
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062861
N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133306579

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 97069290) is (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1cc(N[C@H]2CCN(C3CC3)C2=O)nc(-c2ccccn2)n1.
What is the InChIKey of (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is BVRUAPVFXADLLY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-10-15(21-16(19-11)13-4-2-3-8-18-13)20-14-7-9-22(17(14)23)12-5-6-12/h2-4,8,10,12,14H,5-7,9H2,1H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
(3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 97069290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).