6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one

C8H13N3O — CID 83845952

IUPAC6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one
SMILESCCc1nc(=O)[nH]c(CN)c1C
InChIInChI=1S/C8H13N3O/c1-3-6-5(2)7(4-9)11-8(12)10-6/h3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyHQOWGWMFDWMASU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.10
Rot. Bonds2

About 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one

6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one (PubChem CID 83845952) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one
PubChem CID83845952
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one
SMILESCCc1nc(=O)[nH]c(CN)c1C
InChIInChI=1S/C8H13N3O/c1-3-6-5(2)7(4-9)11-8(12)10-6/h3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyHQOWGWMFDWMASU-UHFFFAOYSA-N
XLogP0.10
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one (CID 83845952) is 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one is CCc1nc(=O)[nH]c(CN)c1C.
What is the InChIKey of 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one?
The InChIKey is HQOWGWMFDWMASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-6-5(2)7(4-9)11-8(12)10-6/h3-4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one?
6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 83845952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).