3-(1-aminoethyl)-5-methylpyrimidin-4-one

C7H11N3O — CID 138743965

IUPAC3-(1-aminoethyl)-5-methylpyrimidin-4-one
SMILESCc1cncn(C(C)N)c1=O
InChIInChI=1S/C7H11N3O/c1-5-3-9-4-10(6(2)8)7(5)11/h3-4,6H,8H2,1-2H3
InChIKeyHOPLIRIOAKKNKE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.03
Rot. Bonds1

About 3-(1-aminoethyl)-5-methylpyrimidin-4-one

3-(1-aminoethyl)-5-methylpyrimidin-4-one (PubChem CID 138743965) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(1-aminoethyl)-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-5-methylpyrimidin-4-one
PubChem CID138743965
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3-(1-aminoethyl)-5-methylpyrimidin-4-one
SMILESCc1cncn(C(C)N)c1=O
InChIInChI=1S/C7H11N3O/c1-5-3-9-4-10(6(2)8)7(5)11/h3-4,6H,8H2,1-2H3
InChIKeyHOPLIRIOAKKNKE-UHFFFAOYSA-N
XLogP0.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-5-methylpyrimidin-4-one?
The IUPAC name of 3-(1-aminoethyl)-5-methylpyrimidin-4-one (CID 138743965) is 3-(1-aminoethyl)-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-(1-aminoethyl)-5-methylpyrimidin-4-one?
The canonical SMILES for 3-(1-aminoethyl)-5-methylpyrimidin-4-one is Cc1cncn(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-5-methylpyrimidin-4-one?
The InChIKey is HOPLIRIOAKKNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-3-9-4-10(6(2)8)7(5)11/h3-4,6H,8H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-5-methylpyrimidin-4-one?
3-(1-aminoethyl)-5-methylpyrimidin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-5-methylpyrimidin-4-one is sourced from PubChem (CID 138743965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).