3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

C12H18N4O2 — CID 136671888

IUPAC3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-12(2,6-8(13)17)16-9-5-10(18)15-11(14-9)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H2,13,17)(H2,14,15,16,18)
InChIKeyKKYXKHQCBILBIA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.71
Rot. Bonds5

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

3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 136671888) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID136671888
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-12(2,6-8(13)17)16-9-5-10(18)15-11(14-9)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H2,13,17)(H2,14,15,16,18)
InChIKeyKKYXKHQCBILBIA-UHFFFAOYSA-N
XLogP0.71
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (CID 136671888) is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is KKYXKHQCBILBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,6-8(13)17)16-9-5-10(18)15-11(14-9)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 250.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 136671888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).