6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one

C8H13N3O — CID 82413785

IUPAC6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1cc(CN)[nH]c(=O)n1
InChIInChI=1S/C8H13N3O/c1-5(2)7-3-6(4-9)10-8(12)11-7/h3,5H,4,9H2,1-2H3,(H,10,11,12)
InChIKeyIJWPJYDVQCSTPK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.35
Rot. Bonds2

About 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one

6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 82413785) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one
PubChem CID82413785
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1cc(CN)[nH]c(=O)n1
InChIInChI=1S/C8H13N3O/c1-5(2)7-3-6(4-9)10-8(12)11-7/h3,5H,4,9H2,1-2H3,(H,10,11,12)
InChIKeyIJWPJYDVQCSTPK-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one (CID 82413785) is 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one is CC(C)c1cc(CN)[nH]c(=O)n1.
What is the InChIKey of 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is IJWPJYDVQCSTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)7-3-6(4-9)10-8(12)11-7/h3,5H,4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 82413785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).