4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one

C9H12N4O — CID 106182416

IUPAC4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccncn2)CN1
InChIInChI=1S/C9H12N4O/c14-9-3-8(5-12-9)11-4-7-1-2-10-6-13-7/h1-2,6,8,11H,3-5H2,(H,12,14)
InChIKeyRKWWYVYPNOPFGY-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.55
Rot. Bonds3

About 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one

4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one (PubChem CID 106182416) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
PubChem CID106182416
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccncn2)CN1
InChIInChI=1S/C9H12N4O/c14-9-3-8(5-12-9)11-4-7-1-2-10-6-13-7/h1-2,6,8,11H,3-5H2,(H,12,14)
InChIKeyRKWWYVYPNOPFGY-UHFFFAOYSA-N
XLogP-0.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine
CID 131092034
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
CID 114155310
1,1-dioxo-N-(pyrimidin-4-ylmethyl)thiolan-3-amine
CID 62760025
3-(pyrimidin-4-ylmethylamino)piperidin-2-one
CID 62748926
4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189037
3-phenyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine
CID 114110664
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184210
4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189038
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62747106
3-(pyrimidin-4-ylmethylamino)cyclohexane-1-carboxylic acid
CID 65066829
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pyrrolidin-2-one
CID 106189688

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one (CID 106182416) is 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one is O=C1CC(NCc2ccncn2)CN1.
What is the InChIKey of 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one?
The InChIKey is RKWWYVYPNOPFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-9-3-8(5-12-9)11-4-7-1-2-10-6-13-7/h1-2,6,8,11H,3-5H2,(H,12,14).
What are the key properties of 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one?
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 106182416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).