4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one

C16H18ClN5O — CID 56894935

IUPAC4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
SMILESCc1cc(NC2CC(=O)N(Cc3ccccc3Cl)C2)nc(N)n1
InChIInChI=1S/C16H18ClN5O/c1-10-6-14(21-16(18)19-10)20-12-7-15(23)22(9-12)8-11-4-2-3-5-13(11)17/h2-6,12H,7-9H2,1H3,(H3,18,19,20,21)
InChIKeyXTKSWMTYEAFZRI-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.23
Rot. Bonds4

About 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one

4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one (PubChem CID 56894935) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
PubChem CID56894935
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
SMILESCc1cc(NC2CC(=O)N(Cc3ccccc3Cl)C2)nc(N)n1
InChIInChI=1S/C16H18ClN5O/c1-10-6-14(21-16(18)19-10)20-12-7-15(23)22(9-12)8-11-4-2-3-5-13(11)17/h2-6,12H,7-9H2,1H3,(H3,18,19,20,21)
InChIKeyXTKSWMTYEAFZRI-UHFFFAOYSA-N
XLogP2.23
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 137346737
(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 95730273
(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95708688
1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 45205641
1-[(2-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42651590
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 28785782
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 95709758
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 45177959
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 25377158
1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 56887374
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one (CID 56894935) is 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one is Cc1cc(NC2CC(=O)N(Cc3ccccc3Cl)C2)nc(N)n1.
What is the InChIKey of 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is XTKSWMTYEAFZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-10-6-14(21-16(18)19-10)20-12-7-15(23)22(9-12)8-11-4-2-3-5-13(11)17/h2-6,12H,7-9H2,1H3,(H3,18,19,20,21).
What are the key properties of 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 331.81 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 56894935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).