1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one

C19H24N6O2 — CID 53324211

IUPAC1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
SMILESCOc1ccc(-c2cc(N3C[C@H](N)[C@@H](N4CCCCC4=O)C3)ncn2)cn1
InChIInChI=1S/C19H24N6O2/c1-27-18-6-5-13(9-21-18)15-8-17(23-12-22-15)24-10-14(20)16(11-24)25-7-3-2-4-19(25)26/h5-6,8-9,12,14,16H,2-4,7,10-11,20H2,1H3/t14-,16-/m0/s1
InChIKeyWFQMLNDMSHISPI-HOCLYGCPSA-N
MW368.44 g/mol
LogP1.08
Rot. Bonds4

About 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one

1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one (PubChem CID 53324211) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
PubChem CID53324211
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
SMILESCOc1ccc(-c2cc(N3C[C@H](N)[C@@H](N4CCCCC4=O)C3)ncn2)cn1
InChIInChI=1S/C19H24N6O2/c1-27-18-6-5-13(9-21-18)15-8-17(23-12-22-15)24-10-14(20)16(11-24)25-7-3-2-4-19(25)26/h5-6,8-9,12,14,16H,2-4,7,10-11,20H2,1H3/t14-,16-/m0/s1
InChIKeyWFQMLNDMSHISPI-HOCLYGCPSA-N
XLogP1.08
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
CID 68839547
[1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]-5,5-difluoro-2-oxopiperidin-3-yl] 2,2,2-trifluoroacetate
CID 140521105
1-[(3S,4S)-4-amino-1-[6-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 46913005
1-[4-amino-1-[6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 75251991
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 67302456
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 91760548
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
ethyl 4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazine-1-carboxylate
CID 121168073
2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117083693
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one (CID 53324211) is 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one is COc1ccc(-c2cc(N3C[C@H](N)[C@@H](N4CCCCC4=O)C3)ncn2)cn1.
What is the InChIKey of 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one?
The InChIKey is WFQMLNDMSHISPI-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-27-18-6-5-13(9-21-18)15-8-17(23-12-22-15)24-10-14(20)16(11-24)25-7-3-2-4-19(25)26/h5-6,8-9,12,14,16H,2-4,7,10-11,20H2,1H3/t14-,16-/m0/s1.
What are the key properties of 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one?
1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one is sourced from PubChem (CID 53324211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).