4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one

C10H13ClN4O — CID 168659951

IUPAC4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
SMILESCc1cc(Cl)nc(N2CC(CN)CC2=O)n1
InChIInChI=1S/C10H13ClN4O/c1-6-2-8(11)14-10(13-6)15-5-7(4-12)3-9(15)16/h2,7H,3-5,12H2,1H3
InChIKeyOYBWCSWXGGNQEG-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.75
Rot. Bonds2

About 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one (PubChem CID 168659951) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
PubChem CID168659951
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
SMILESCc1cc(Cl)nc(N2CC(CN)CC2=O)n1
InChIInChI=1S/C10H13ClN4O/c1-6-2-8(11)14-10(13-6)15-5-7(4-12)3-9(15)16/h2,7H,3-5,12H2,1H3
InChIKeyOYBWCSWXGGNQEG-UHFFFAOYSA-N
XLogP0.75
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670618
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
4-(aminomethyl)-1-(6-chloro-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659881
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467
4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168687885
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one (CID 168659951) is 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one is Cc1cc(Cl)nc(N2CC(CN)CC2=O)n1.
What is the InChIKey of 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The InChIKey is OYBWCSWXGGNQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-2-8(11)14-10(13-6)15-5-7(4-12)3-9(15)16/h2,7H,3-5,12H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one has a molecular weight of 240.69 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168659951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).