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

C9H14N4O2 — CID 136671881

IUPAC3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCC(C)(CC(N)=O)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-9(2,4-6(10)14)13-7-3-8(15)12-5-11-7/h3,5H,4H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyZBZDMRSPCIEWIL-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.16
Rot. Bonds4

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

3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136671881) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136671881
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCC(C)(CC(N)=O)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-9(2,4-6(10)14)13-7-3-8(15)12-5-11-7/h3,5H,4H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyZBZDMRSPCIEWIL-UHFFFAOYSA-N
XLogP-0.16
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671886
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671887
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757122
3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136784842
2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136843230
N,2,2-trimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136843239
N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136914212
N,2-dimethyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136914217
3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136956112
4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136956166

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136671881) is 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide is CC(C)(CC(N)=O)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is ZBZDMRSPCIEWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(2,4-6(10)14)13-7-3-8(15)12-5-11-7/h3,5H,4H2,1-2H3,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 210.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136671881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).