4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136957036

IUPAC4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC1(CC)CC(Nc2cc(=O)[nH]c(C)n2)CCO1
InChIInChI=1S/C14H23N3O2/c1-4-14(5-2)9-11(6-7-19-14)17-12-8-13(18)16-10(3)15-12/h8,11H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyFWOCAEQVZFGYLX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.23
Rot. Bonds4

About 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957036) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957036
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC1(CC)CC(Nc2cc(=O)[nH]c(C)n2)CCO1
InChIInChI=1S/C14H23N3O2/c1-4-14(5-2)9-11(6-7-19-14)17-12-8-13(18)16-10(3)15-12/h8,11H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyFWOCAEQVZFGYLX-UHFFFAOYSA-N
XLogP2.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-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 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136957036) is 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one is CCC1(CC)CC(Nc2cc(=O)[nH]c(C)n2)CCO1.
What is the InChIKey of 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FWOCAEQVZFGYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-14(5-2)9-11(6-7-19-14)17-12-8-13(18)16-10(3)15-12/h8,11H,4-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).