2-Hydroxy-4-(n-propyl)pyrimidine

C7H10N2O — CID 49758447

IUPAC6-propyl-1H-pyrimidin-2-one
SMILESCCCC1=CC=NC(=O)N1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-5-8-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyBADHKNJQEBRMCS-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.70
Rot. Bonds2

About 2-Hydroxy-4-(n-propyl)pyrimidine

2-Hydroxy-4-(n-propyl)pyrimidine (PubChem CID 49758447) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-propyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name2-Hydroxy-4-(n-propyl)pyrimidine
PubChem CID49758447
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name6-propyl-1H-pyrimidin-2-one
SMILESCCCC1=CC=NC(=O)N1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-5-8-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyBADHKNJQEBRMCS-UHFFFAOYSA-N
XLogP-0.70
TPSA41.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-Hydroxy-4-(n-propyl)pyrimidine?
The IUPAC name of 2-Hydroxy-4-(n-propyl)pyrimidine (CID 49758447) is 6-propyl-1H-pyrimidin-2-one.
What is the SMILES notation for 2-Hydroxy-4-(n-propyl)pyrimidine?
The canonical SMILES for 2-Hydroxy-4-(n-propyl)pyrimidine is CCCC1=CC=NC(=O)N1.
What is the InChIKey of 2-Hydroxy-4-(n-propyl)pyrimidine?
The InChIKey is BADHKNJQEBRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6-4-5-8-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-Hydroxy-4-(n-propyl)pyrimidine?
2-Hydroxy-4-(n-propyl)pyrimidine has a molecular weight of 138.17 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Hydroxy-4-(n-propyl)pyrimidine is sourced from PubChem (CID 49758447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).