2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one

C12H15N5O — CID 137011768

IUPAC2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)c1cn[nH]c1
InChIInChI=1S/C12H15N5O/c1-7(9-5-13-14-6-9)15-10-4-11(18)17-12(16-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,13,14)(H2,15,16,17,18)
InChIKeyLYZSLRYKEUAWCL-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.54
Rot. Bonds4

About 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 137011768) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID137011768
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)c1cn[nH]c1
InChIInChI=1S/C12H15N5O/c1-7(9-5-13-14-6-9)15-10-4-11(18)17-12(16-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,13,14)(H2,15,16,17,18)
InChIKeyLYZSLRYKEUAWCL-UHFFFAOYSA-N
XLogP1.54
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975504
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
CID 137016449
2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136976762
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-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
2-cyclopropyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958788
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 137011768) is 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one is CC(Nc1cc(=O)[nH]c(C2CC2)n1)c1cn[nH]c1.
What is the InChIKey of 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is LYZSLRYKEUAWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7(9-5-13-14-6-9)15-10-4-11(18)17-12(16-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,13,14)(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 245.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137011768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).