2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one

C10H13N5O2 — CID 155811457

IUPAC2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-n2[nH]c(=O)cc2N)n1
InChIInChI=1S/C10H13N5O2/c1-2-3-6-4-8(16)13-10(12-6)15-7(11)5-9(17)14-15/h4-5H,2-3,11H2,1H3,(H,14,17)(H,12,13,16)
InChIKeyFMZYGHKHGIMORJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.22
Rot. Bonds3

About 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one

2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 155811457) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID155811457
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-n2[nH]c(=O)cc2N)n1
InChIInChI=1S/C10H13N5O2/c1-2-3-6-4-8(16)13-10(12-6)15-7(11)5-9(17)14-15/h4-5H,2-3,11H2,1H3,(H,14,17)(H,12,13,16)
InChIKeyFMZYGHKHGIMORJ-UHFFFAOYSA-N
XLogP-0.22
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one (CID 155811457) is 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(-n2[nH]c(=O)cc2N)n1.
What is the InChIKey of 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is FMZYGHKHGIMORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-2-3-6-4-8(16)13-10(12-6)15-7(11)5-9(17)14-15/h4-5H,2-3,11H2,1H3,(H,14,17)(H,12,13,16).
What are the key properties of 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one?
2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 235.25 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 155811457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).