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

C13H17N5O — CID 135984534

IUPAC2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2N)n1
InChIInChI=1S/C13H17N5O/c1-7(2)9-6-12(19)16-13(15-9)18-11(14)5-10(17-18)8-3-4-8/h5-8H,3-4,14H2,1-2H3,(H,15,16,19)
InChIKeyMELQOYGGHHOCRP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.54
Rot. Bonds3

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

2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135984534) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135984534
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2N)n1
InChIInChI=1S/C13H17N5O/c1-7(2)9-6-12(19)16-13(15-9)18-11(14)5-10(17-18)8-3-4-8/h5-8H,3-4,14H2,1-2H3,(H,15,16,19)
InChIKeyMELQOYGGHHOCRP-UHFFFAOYSA-N
XLogP1.54
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.54
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-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 135984534) is 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MELQOYGGHHOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-7(2)9-6-12(19)16-13(15-9)18-11(14)5-10(17-18)8-3-4-8/h5-8H,3-4,14H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.54, 3 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135984534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).