4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136824090

IUPAC4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCOCC(Nc1cc(=O)[nH]cn1)C(C)C
InChIInChI=1S/C11H19N3O2/c1-4-16-6-9(8(2)3)14-10-5-11(15)13-7-12-10/h5,7-9H,4,6H2,1-3H3,(H2,12,13,14,15)
InChIKeySUZFKCYAPKRRRW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.24
Rot. Bonds6

About 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136824090) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136824090
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCOCC(Nc1cc(=O)[nH]cn1)C(C)C
InChIInChI=1S/C11H19N3O2/c1-4-16-6-9(8(2)3)14-10-5-11(15)13-7-12-10/h5,7-9H,4,6H2,1-3H3,(H2,12,13,14,15)
InChIKeySUZFKCYAPKRRRW-UHFFFAOYSA-N
XLogP1.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136824090) is 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is CCOCC(Nc1cc(=O)[nH]cn1)C(C)C.
What is the InChIKey of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is SUZFKCYAPKRRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-16-6-9(8(2)3)14-10-5-11(15)13-7-12-10/h5,7-9H,4,6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136824090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).