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

C9H14N4O2 — CID 136956164

IUPAC4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NCCCC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-6-12-8(5-9(15)13-6)11-4-2-3-7(10)14/h5H,2-4H2,1H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyOJWYMKBBSRQMNE-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.24
Rot. Bonds5

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

4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136956164) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136956164
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NCCCC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-6-12-8(5-9(15)13-6)11-4-2-3-7(10)14/h5H,2-4H2,1H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyOJWYMKBBSRQMNE-UHFFFAOYSA-N
XLogP-0.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136956164) is 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is Cc1nc(NCCCC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is OJWYMKBBSRQMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-12-8(5-9(15)13-6)11-4-2-3-7(10)14/h5H,2-4H2,1H3,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 210.24 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136956164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).