3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide

C10H16N4O2 — CID 136671884

IUPAC3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NC(C)(C)CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-6-12-8(4-9(16)13-6)14-10(2,3)5-7(11)15/h4H,5H2,1-3H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyPWYXBMMKLOFWAG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.14
Rot. Bonds4

About 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide

3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136671884) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136671884
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NC(C)(C)CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-6-12-8(4-9(16)13-6)14-10(2,3)5-7(11)15/h4H,5H2,1-3H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyPWYXBMMKLOFWAG-UHFFFAOYSA-N
XLogP0.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide 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-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671883
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671888
4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136757097
2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757516
3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide
CID 136782503
2,2-dimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136843219
N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136957117
2-methyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136957169
2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136957231
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136957281
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanamide
CID 136974611
N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136976861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136671884) is 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is Cc1nc(NC(C)(C)CC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is PWYXBMMKLOFWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-12-8(4-9(16)13-6)14-10(2,3)5-7(11)15/h4H,5H2,1-3H3,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 224.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136671884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).