2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

C11H13N5O — CID 135984532

IUPAC2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2N)n1
InChIInChI=1S/C11H13N5O/c1-6-4-10(17)14-11(13-6)16-9(12)5-8(15-16)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,13,14,17)
InChIKeyBYKLLJJPGJSYKP-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.72
Rot. Bonds2

About 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135984532) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135984532
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2N)n1
InChIInChI=1S/C11H13N5O/c1-6-4-10(17)14-11(13-6)16-9(12)5-8(15-16)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,13,14,17)
InChIKeyBYKLLJJPGJSYKP-UHFFFAOYSA-N
XLogP0.72
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135984532) is 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BYKLLJJPGJSYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-6-4-10(17)14-11(13-6)16-9(12)5-8(15-16)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,13,14,17).
What are the key properties of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 231.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135984532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).