1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one

C19H23N5O — CID 68839547

IUPAC1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
SMILESN[C@@H]1CN(c2cc(-c3ccccc3)ncn2)C[C@@H]1N1CCCCC1=O
InChIInChI=1S/C19H23N5O/c20-15-11-23(12-17(15)24-9-5-4-8-19(24)25)18-10-16(21-13-22-18)14-6-2-1-3-7-14/h1-3,6-7,10,13,15,17H,4-5,8-9,11-12,20H2/t15-,17+/m1/s1
InChIKeyFHAABBQZMYZFKY-WBVHZDCISA-N
MW337.43 g/mol
LogP1.67
Rot. Bonds3

About 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one

1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one (PubChem CID 68839547) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
PubChem CID68839547
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
SMILESN[C@@H]1CN(c2cc(-c3ccccc3)ncn2)C[C@@H]1N1CCCCC1=O
InChIInChI=1S/C19H23N5O/c20-15-11-23(12-17(15)24-9-5-4-8-19(24)25)18-10-16(21-13-22-18)14-6-2-1-3-7-14/h1-3,6-7,10,13,15,17H,4-5,8-9,11-12,20H2/t15-,17+/m1/s1
InChIKeyFHAABBQZMYZFKY-WBVHZDCISA-N
XLogP1.67
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 53324211
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
CID 121018196
ethyl 4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazine-1-carboxylate
CID 121168073
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 82166145
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
N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168086
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one (CID 68839547) is 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one is N[C@@H]1CN(c2cc(-c3ccccc3)ncn2)C[C@@H]1N1CCCCC1=O.
What is the InChIKey of 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one?
The InChIKey is FHAABBQZMYZFKY-WBVHZDCISA-N. The full InChI is InChI=1S/C19H23N5O/c20-15-11-23(12-17(15)24-9-5-4-8-19(24)25)18-10-16(21-13-22-18)14-6-2-1-3-7-14/h1-3,6-7,10,13,15,17H,4-5,8-9,11-12,20H2/t15-,17+/m1/s1.
What are the key properties of 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one?
1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one has a molecular weight of 337.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one is sourced from PubChem (CID 68839547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).