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

C9H13N3O — CID 84656988

IUPAC2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCc1ncc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O/c10-4-3-8-11-5-7(6-1-2-6)9(13)12-8/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyATMAMBFNIRKBLE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.15
Rot. Bonds3

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

2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 84656988) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one
PubChem CID84656988
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCc1ncc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O/c10-4-3-8-11-5-7(6-1-2-6)9(13)12-8/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyATMAMBFNIRKBLE-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

Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
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-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-(Cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304192
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one (CID 84656988) is 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one is NCCc1ncc(C2CC2)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is ATMAMBFNIRKBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-3-8-11-5-7(6-1-2-6)9(13)12-8/h5-6H,1-4,10H2,(H,11,12,13).
What are the key properties of 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
2-(2-aminoethyl)-5-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 2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84656988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).