4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 136956752

IUPAC4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC(O)(CC)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-4-11(16,5-2)7-12-9-6-10(15)14-8(3)13-9/h6,16H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyKPVFKYDUZYBVNJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.04
Rot. Bonds5

About 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956752) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956752
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC(O)(CC)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-4-11(16,5-2)7-12-9-6-10(15)14-8(3)13-9/h6,16H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyKPVFKYDUZYBVNJ-UHFFFAOYSA-N
XLogP1.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136956752) is 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one is CCC(O)(CC)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KPVFKYDUZYBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-11(16,5-2)7-12-9-6-10(15)14-8(3)13-9/h6,16H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).