2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one

C14H23N3O — CID 137016449

IUPAC2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCC(C)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O/c1-9(2)4-5-10(3)15-12-8-13(18)17-14(16-12)11-6-7-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyVXPZFBQPVICYQH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.88
Rot. Bonds6

About 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 137016449) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID137016449
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCC(C)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O/c1-9(2)4-5-10(3)15-12-8-13(18)17-14(16-12)11-6-7-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyVXPZFBQPVICYQH-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one
CID 136974495
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824093
2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137011768
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975504
2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136976762
2-cyclopropyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958788
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one (CID 137016449) is 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one is CC(C)CCC(C)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is VXPZFBQPVICYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)4-5-10(3)15-12-8-13(18)17-14(16-12)11-6-7-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137016449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).