4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C14H23N3O3 — CID 136976695

IUPAC4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1(CC)CC(Nc2nc[nH]c(=O)c2OC)CCO1
InChIInChI=1S/C14H23N3O3/c1-4-14(5-2)8-10(6-7-20-14)17-12-11(19-3)13(18)16-9-15-12/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyGLIGLLDTGOCWLO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.93
Rot. Bonds5

About 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136976695) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136976695
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1(CC)CC(Nc2nc[nH]c(=O)c2OC)CCO1
InChIInChI=1S/C14H23N3O3/c1-4-14(5-2)8-10(6-7-20-14)17-12-11(19-3)13(18)16-9-15-12/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyGLIGLLDTGOCWLO-UHFFFAOYSA-N
XLogP1.93
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136976695) is 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one is CCC1(CC)CC(Nc2nc[nH]c(=O)c2OC)CCO1.
What is the InChIKey of 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is GLIGLLDTGOCWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-14(5-2)8-10(6-7-20-14)17-12-11(19-3)13(18)16-9-15-12/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 281.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-diethyloxan-4-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136976695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).