4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136864263

IUPAC4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-3-11(4-2,7-15)6-12-9-5-10(16)14-8-13-9/h5,8,15H,3-4,6-7H2,1-2H3,(H2,12,13,14,16)
InChIKeyNNAQBQSRXWWMPQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds6

About 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one

4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one (PubChem CID 136864263) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
PubChem CID136864263
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-3-11(4-2,7-15)6-12-9-5-10(16)14-8-13-9/h5,8,15H,3-4,6-7H2,1-2H3,(H2,12,13,14,16)
InChIKeyNNAQBQSRXWWMPQ-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-4-pyrimidinol
CID 135460856
2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol
CID 135406826
4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135453823
4-[butyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135492319
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723605
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one (CID 136864263) is 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one is CCC(CC)(CO)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one?
The InChIKey is NNAQBQSRXWWMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-11(4-2,7-15)6-12-9-5-10(16)14-8-13-9/h5,8,15H,3-4,6-7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one?
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).