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

C17H20ClN5O — CID 137346737

IUPAC4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
SMILESCc1cc(NCC2CC(=O)N(Cc3ccccc3Cl)C2)nc(N)n1
InChIInChI=1S/C17H20ClN5O/c1-11-6-15(22-17(19)21-11)20-8-12-7-16(24)23(9-12)10-13-4-2-3-5-14(13)18/h2-6,12H,7-10H2,1H3,(H3,19,20,21,22)
InChIKeyINLZPVWUNTXBPJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.48
Rot. Bonds5

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

4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one (PubChem CID 137346737) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
PubChem CID137346737
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
SMILESCc1cc(NCC2CC(=O)N(Cc3ccccc3Cl)C2)nc(N)n1
InChIInChI=1S/C17H20ClN5O/c1-11-6-15(22-17(19)21-11)20-8-12-7-16(24)23(9-12)10-13-4-2-3-5-14(13)18/h2-6,12H,7-10H2,1H3,(H3,19,20,21,22)
InChIKeyINLZPVWUNTXBPJ-UHFFFAOYSA-N
XLogP2.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 56894935
1-[(2-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42651590
(4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one
CID 97204462
(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168660373
(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 95730273
1-[(4-chloro-2-methylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 23326524
4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 131917049
1-[(2-chlorophenyl)methyl]-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 24819671
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 45177959
4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one
CID 80655291

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one (CID 137346737) is 4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one is Cc1cc(NCC2CC(=O)N(Cc3ccccc3Cl)C2)nc(N)n1.
What is the InChIKey of 4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is INLZPVWUNTXBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-11-6-15(22-17(19)21-11)20-8-12-7-16(24)23(9-12)10-13-4-2-3-5-14(13)18/h2-6,12H,7-10H2,1H3,(H3,19,20,21,22).
What are the key properties of 4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
4-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 345.83 g/mol, XLogP of 2.48, 5 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]methyl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 137346737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).