4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one

C9H13N3O — CID 116596516

IUPAC4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one
SMILESCC(CN)CC(=O)c1cncnc1
InChIInChI=1S/C9H13N3O/c1-7(3-10)2-9(13)8-4-11-6-12-5-8/h4-7H,2-3,10H2,1H3
InChIKeyWFADPJMESDVRMV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.64
Rot. Bonds4

About 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one

4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one (PubChem CID 116596516) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one
PubChem CID116596516
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one
SMILESCC(CN)CC(=O)c1cncnc1
InChIInChI=1S/C9H13N3O/c1-7(3-10)2-9(13)8-4-11-6-12-5-8/h4-7H,2-3,10H2,1H3
InChIKeyWFADPJMESDVRMV-UHFFFAOYSA-N
XLogP0.64
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-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

N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide
CID 102921194
N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
CID 102922368
2-propan-2-ylsulfanyl-1-pyrimidin-5-ylethanone
CID 65134851
N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922915
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
2-(2-methylpropylsulfanyl)-1-pyrimidin-5-ylethanone
CID 65138403
4-amino-1-isoquinolin-4-yl-3-methylbutan-1-one
CID 116596552
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
CID 116596565
5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
CID 81079129
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one
CID 116596554
1-pyrimidin-5-yl-2-sulfanylpropan-1-one
CID 138607696

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one?
The IUPAC name of 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one (CID 116596516) is 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one?
The canonical SMILES for 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one is CC(CN)CC(=O)c1cncnc1.
What is the InChIKey of 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one?
The InChIKey is WFADPJMESDVRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(3-10)2-9(13)8-4-11-6-12-5-8/h4-7H,2-3,10H2,1H3.
What are the key properties of 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one?
4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one has a molecular weight of 179.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one is sourced from PubChem (CID 116596516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).