(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one

C19H23ClN4O — CID 95708688

IUPAC(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCc1cnc(C)nc1N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H23ClN4O/c1-3-6-14-10-21-13(2)22-19(14)23-16-9-18(25)24(12-16)11-15-7-4-5-8-17(15)20/h4-5,7-8,10,16H,3,6,9,11-12H2,1-2H3,(H,21,22,23)/t16-/m0/s1
InChIKeyOZJGEDZSELRXGF-INIZCTEOSA-N
MW358.87 g/mol
LogP3.60
Rot. Bonds6

About (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one

(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 95708688) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID95708688
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCc1cnc(C)nc1N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H23ClN4O/c1-3-6-14-10-21-13(2)22-19(14)23-16-9-18(25)24(12-16)11-15-7-4-5-8-17(15)20/h4-5,7-8,10,16H,3,6,9,11-12H2,1-2H3,(H,21,22,23)/t16-/m0/s1
InChIKeyOZJGEDZSELRXGF-INIZCTEOSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 56894935
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 95709758
1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 45205641
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 45222736
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 25377158
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333932
1-[(2-chlorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 45492463
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 28785782
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 45238063

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 95708688) is (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCCc1cnc(C)nc1N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is OZJGEDZSELRXGF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-3-6-14-10-21-13(2)22-19(14)23-16-9-18(25)24(12-16)11-15-7-4-5-8-17(15)20/h4-5,7-8,10,16H,3,6,9,11-12H2,1-2H3,(H,21,22,23)/t16-/m0/s1.
What are the key properties of (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 358.87 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95708688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).