5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one

C10H17N3O — CID 83852039

IUPAC5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1ncc(CCN)c(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-7(2)5-9-12-6-8(3-4-11)10(14)13-9/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyILCOZKWAWRCGOU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.47
Rot. Bonds4

About 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one

5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 83852039) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID83852039
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1ncc(CCN)c(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-7(2)5-9-12-6-8(3-4-11)10(14)13-9/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyILCOZKWAWRCGOU-UHFFFAOYSA-N
XLogP0.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
2-pentan-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 176560736
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 23465437
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one (CID 83852039) is 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one is CC(C)Cc1ncc(CCN)c(=O)[nH]1.
What is the InChIKey of 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is ILCOZKWAWRCGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)5-9-12-6-8(3-4-11)10(14)13-9/h6-7H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one?
5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 83852039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).