2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one

C13H18N4O — CID 136692313

IUPAC2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cnn(CCC)c2)cc(=O)[nH]1
InChIInChI=1S/C13H18N4O/c1-3-5-12-15-11(7-13(18)16-12)10-8-14-17(9-10)6-4-2/h7-9H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyMNMXKMSYSMIELO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.00
Rot. Bonds5

About 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one

2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136692313) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136692313
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cnn(CCC)c2)cc(=O)[nH]1
InChIInChI=1S/C13H18N4O/c1-3-5-12-15-11(7-13(18)16-12)10-8-14-17(9-10)6-4-2/h7-9H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyMNMXKMSYSMIELO-UHFFFAOYSA-N
XLogP2.00
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propyl-4-(1-propylpyrazol-4-yl)-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-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136692313) is 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one is CCCc1nc(-c2cnn(CCC)c2)cc(=O)[nH]1.
What is the InChIKey of 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is MNMXKMSYSMIELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-12-15-11(7-13(18)16-12)10-8-14-17(9-10)6-4-2/h7-9H,3-6H2,1-2H3,(H,15,16,18).
What are the key properties of 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 246.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).