5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one

C15H19N3O2 — CID 136769913

IUPAC5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCC(C)Oc1cncc(-c2nc[nH]c(=O)c2C(C)C)c1
InChIInChI=1S/C15H19N3O2/c1-9(2)13-14(17-8-18-15(13)19)11-5-12(7-16-6-11)20-10(3)4/h5-10H,1-4H3,(H,17,18,19)
InChIKeyVHMDGPDPYGXQTM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.74
Rot. Bonds4

About 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one

5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 136769913) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one
PubChem CID136769913
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCC(C)Oc1cncc(-c2nc[nH]c(=O)c2C(C)C)c1
InChIInChI=1S/C15H19N3O2/c1-9(2)13-14(17-8-18-15(13)19)11-5-12(7-16-6-11)20-10(3)4/h5-10H,1-4H3,(H,17,18,19)
InChIKeyVHMDGPDPYGXQTM-UHFFFAOYSA-N
XLogP2.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-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

Related Compounds

5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136769899
4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136955633
5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one
CID 136769605
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692261
4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136691872
3-methylsulfanyl-5-propan-2-yloxypyridine
CID 146035348
4-(5-propan-2-yloxy-3-pyridinyl)-1,3-dihydroindol-2-one
CID 167982525
3-cyclopropyl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 167942755
4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one
CID 83261333
6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39732424
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486280
2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol
CID 83130705

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one (CID 136769913) is 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one is CC(C)Oc1cncc(-c2nc[nH]c(=O)c2C(C)C)c1.
What is the InChIKey of 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is VHMDGPDPYGXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)13-14(17-8-18-15(13)19)11-5-12(7-16-6-11)20-10(3)4/h5-10H,1-4H3,(H,17,18,19).
What are the key properties of 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one?
5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).