4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one

C13H16N4O — CID 137008361

IUPAC4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Nc2ccccc2CN)cc(=O)[nH]1
InChIInChI=1S/C13H16N4O/c1-2-11-16-12(7-13(18)17-11)15-10-6-4-3-5-9(10)8-14/h3-7H,2,8,14H2,1H3,(H2,15,16,17,18)
InChIKeyJLADDYQYCMGEJK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.53
Rot. Bonds4

About 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one

4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137008361) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137008361
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Nc2ccccc2CN)cc(=O)[nH]1
InChIInChI=1S/C13H16N4O/c1-2-11-16-12(7-13(18)17-11)15-10-6-4-3-5-9(10)8-14/h3-7H,2,8,14H2,1H3,(H2,15,16,17,18)
InChIKeyJLADDYQYCMGEJK-UHFFFAOYSA-N
XLogP1.53
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-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

4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972721
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972739
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-fluorobenzoic acid
CID 136958898
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136976280
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136976617
4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 137008677
2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one
CID 136974308
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid
CID 136958764
4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136978373
2-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975306
4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136977072
N-[2-(aminomethyl)phenyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63760130

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one (CID 137008361) is 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(Nc2ccccc2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is JLADDYQYCMGEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-11-16-12(7-13(18)17-11)15-10-6-4-3-5-9(10)8-14/h3-7H,2,8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one?
4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 244.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).