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

C9H14N4O2 — CID 136957281

IUPAC3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NC(C)CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-5(3-7(10)14)11-8-4-9(15)13-6(2)12-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyZRIQFXNTNJCWGT-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.25
Rot. Bonds4

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

3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136957281) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136957281
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NC(C)CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-5(3-7(10)14)11-8-4-9(15)13-6(2)12-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyZRIQFXNTNJCWGT-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136957281) is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is Cc1nc(NC(C)CC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is ZRIQFXNTNJCWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5(3-7(10)14)11-8-4-9(15)13-6(2)12-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 210.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136957281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).