5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one

C9H13N3O — CID 83875108

IUPAC5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one
SMILESNCCc1cncn(C2CC2)c1=O
InChIInChI=1S/C9H13N3O/c10-4-3-7-5-11-6-12(9(7)13)8-1-2-8/h5-6,8H,1-4,10H2
InChIKeyNPCQLVSLOFYGFZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.08
Rot. Bonds3

About 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one

5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one (PubChem CID 83875108) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one
PubChem CID83875108
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one
SMILESNCCc1cncn(C2CC2)c1=O
InChIInChI=1S/C9H13N3O/c10-4-3-7-5-11-6-12(9(7)13)8-1-2-8/h5-6,8H,1-4,10H2
InChIKeyNPCQLVSLOFYGFZ-UHFFFAOYSA-N
XLogP0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1,4-dihydropyrimidine-5-carboxamide
CID 68040207
5-Ethyl-3-propan-2-ylpyrimidin-4-one
CID 89749441
5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
CID 150725328
5-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 172329324
5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one
CID 176568630
5-(2-Aminoethyl)pyrimidin-4-OL
CID 82418376
5-(2-Aminoethyl)-3-methylpyrimidin-4-one
CID 83872658
5-(Aminomethyl)-3-cyclopropylpyrimidin-4-one
CID 83873297
5-(2-Aminoethyl)-2,3-dimethylpyrimidin-4-one
CID 83873637
3-Methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
CID 83873639
5-(2-Aminopropyl)-3-methylpyrimidin-4-one
CID 83873640
5-(1-Aminopropan-2-yl)-3-methylpyrimidin-4-one
CID 83873641

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one?
The IUPAC name of 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one (CID 83875108) is 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one?
The canonical SMILES for 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one is NCCc1cncn(C2CC2)c1=O.
What is the InChIKey of 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one?
The InChIKey is NPCQLVSLOFYGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-3-7-5-11-6-12(9(7)13)8-1-2-8/h5-6,8H,1-4,10H2.
What are the key properties of 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one?
5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 83875108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).