2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C20H23ClN4O — CID 120760652

IUPAC2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)nc12.Cl
InChIInChI=1S/C20H22N4O.ClH/c1-14-6-5-9-24-19(25)10-16(22-20(14)24)11-23-12-17(18(21)13-23)15-7-3-2-4-8-15;/h2-10,17-18H,11-13,21H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyOSSUQYWIBNLPNE-CJRXIRLBSA-N
MW370.88 g/mol
LogP2.35
Rot. Bonds3

About 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 120760652) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID120760652
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)nc12.Cl
InChIInChI=1S/C20H22N4O.ClH/c1-14-6-5-9-24-19(25)10-16(22-20(14)24)11-23-12-17(18(21)13-23)15-7-3-2-4-8-15;/h2-10,17-18H,11-13,21H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyOSSUQYWIBNLPNE-CJRXIRLBSA-N
XLogP2.35
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119924132
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62062893
5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120760812
9-methyl-2-[[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92845335
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 119925708
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901
(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770036
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
9-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46631682
2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 55626202
(3aR,6aR)-5-acetyl-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72858595
9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119916529

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 120760652) is 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cccn2c(=O)cc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)nc12.Cl.
What is the InChIKey of 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is OSSUQYWIBNLPNE-CJRXIRLBSA-N. The full InChI is InChI=1S/C20H22N4O.ClH/c1-14-6-5-9-24-19(25)10-16(22-20(14)24)11-23-12-17(18(21)13-23)15-7-3-2-4-8-15;/h2-10,17-18H,11-13,21H2,1H3;1H/t17-,18+;/m0./s1.
What are the key properties of 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 120760652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).