2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one

C10H17N3O — CID 135962918

IUPAC2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C(C)(N)CC)n1
InChIInChI=1S/C10H17N3O/c1-4-7-6-8(14)13-9(12-7)10(3,11)5-2/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyAJPLNKHFQGVPKO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.92
Rot. Bonds3

About 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one

2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135962918) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID135962918
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C(C)(N)CC)n1
InChIInChI=1S/C10H17N3O/c1-4-7-6-8(14)13-9(12-7)10(3,11)5-2/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyAJPLNKHFQGVPKO-UHFFFAOYSA-N
XLogP0.92
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Di-tert-butyl-3,4-dihydropyrimidin-4-one
CID 135479012
2-(2-Aminobutan-2-yl)-5,6-dimethyl-1,4-dihydropyrimidin-4-one
CID 135962919
2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 135966792
2-(1-aminocyclohexyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136103254
2-(2-aminobutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136103350
2-(2-Aminobutan-2-yl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 136103393
2-(2-aminopropan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136103406
2-(2-Aminobutan-2-yl)-5-ethyl-6-methyl-1,4-dihydropyrimidin-4-one
CID 136103408
2-(2-aminopropan-2-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136103413
Aspergillusine A
CID 146684492
2,6-di(propan-2-yl)pyrimidin-4(3H)-one
CID 135631190
2-Methyl-6-(propan-2-yl)pyrimidin-4(1H)-one
CID 135702358

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one (CID 135962918) is 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(C(C)(N)CC)n1.
What is the InChIKey of 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is AJPLNKHFQGVPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-7-6-8(14)13-9(12-7)10(3,11)5-2/h6H,4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one?
2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutan-2-yl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135962918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).