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

C9H14N4O2 — CID 136784842

IUPAC3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCC(C)C(Nc1cc(=O)[nH]cn1)C(N)=O
InChIInChI=1S/C9H14N4O2/c1-5(2)8(9(10)15)13-6-3-7(14)12-4-11-6/h3-5,8H,1-2H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyBFEOIHYNTKXGBT-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.31
Rot. Bonds4

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

3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136784842) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136784842
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCC(C)C(Nc1cc(=O)[nH]cn1)C(N)=O
InChIInChI=1S/C9H14N4O2/c1-5(2)8(9(10)15)13-6-3-7(14)12-4-11-6/h3-5,8H,1-2H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyBFEOIHYNTKXGBT-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide
CID 130219534
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
N~1~-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}-D-valinamide
CID 136662261
2-amino-6-(4-D-valylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 136663811
3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136671881
N-ethyl-N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136713575
3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136784833
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784835
3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide
CID 136784836
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784837
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784839
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784841

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136784842) is 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide is CC(C)C(Nc1cc(=O)[nH]cn1)C(N)=O.
What is the InChIKey of 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is BFEOIHYNTKXGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5(2)8(9(10)15)13-6-3-7(14)12-4-11-6/h3-5,8H,1-2H3,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 210.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136784842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).