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

C9H13N3O — CID 83851876

IUPAC5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCc1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C9H13N3O/c10-4-3-7-5-11-8(6-1-2-6)12-9(7)13/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyYPJAAHLGTCZYPW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.15
Rot. Bonds3

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

5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 83851876) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID83851876
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCc1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C9H13N3O/c10-4-3-7-5-11-8(6-1-2-6)12-9(7)13/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyYPJAAHLGTCZYPW-UHFFFAOYSA-N
XLogP0.15
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
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
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
CID 24903858

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 83851876) is 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one is NCCc1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is YPJAAHLGTCZYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-3-7-5-11-8(6-1-2-6)12-9(7)13/h5-6H,1-4,10H2,(H,11,12,13).
What are the key properties of 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one?
5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 83851876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).