2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one

C12H16N6O — CID 136976479

IUPAC2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCn1cnc(CCNc2cc(=O)[nH]c(C3CC3)n2)n1
InChIInChI=1S/C12H16N6O/c1-18-7-14-9(17-18)4-5-13-10-6-11(19)16-12(15-10)8-2-3-8/h6-8H,2-5H2,1H3,(H2,13,15,16,19)
InChIKeyXSBIKMCJWDVAJM-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.43
Rot. Bonds5

About 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136976479) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136976479
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCn1cnc(CCNc2cc(=O)[nH]c(C3CC3)n2)n1
InChIInChI=1S/C12H16N6O/c1-18-7-14-9(17-18)4-5-13-10-6-11(19)16-12(15-10)8-2-3-8/h6-8H,2-5H2,1H3,(H2,13,15,16,19)
InChIKeyXSBIKMCJWDVAJM-UHFFFAOYSA-N
XLogP0.43
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
2-cyclopropyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737816
2-cyclopropyl-4-[(1-methylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974708
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
CID 137016082
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one (CID 136976479) is 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one is Cn1cnc(CCNc2cc(=O)[nH]c(C3CC3)n2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is XSBIKMCJWDVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-18-7-14-9(17-18)4-5-13-10-6-11(19)16-12(15-10)8-2-3-8/h6-8H,2-5H2,1H3,(H2,13,15,16,19).
What are the key properties of 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 260.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).