6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one

C9H15N3O — CID 82408357

IUPAC6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one
SMILESCC(C)(C)c1cc(CN)[nH]c(=O)n1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-6(5-10)11-8(13)12-7/h4H,5,10H2,1-3H3,(H,11,12,13)
InChIKeyCZKGLHAXYWNAMU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.53
Rot. Bonds1

About 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one

6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one (PubChem CID 82408357) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one
PubChem CID82408357
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one
SMILESCC(C)(C)c1cc(CN)[nH]c(=O)n1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-6(5-10)11-8(13)12-7/h4H,5,10H2,1-3H3,(H,11,12,13)
InChIKeyCZKGLHAXYWNAMU-UHFFFAOYSA-N
XLogP0.53
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one (CID 82408357) is 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one is CC(C)(C)c1cc(CN)[nH]c(=O)n1.
What is the InChIKey of 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one?
The InChIKey is CZKGLHAXYWNAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-6(5-10)11-8(13)12-7/h4H,5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one?
6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-tert-butyl-1H-pyrimidin-2-one is sourced from PubChem (CID 82408357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).