2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one

C10H17N3O — CID 84666371

IUPAC2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCNCc1ncc(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-7(2)4-8-5-12-9(6-11-3)13-10(8)14/h5,7,11H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyWCICSNLGLWSHEH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.69
Rot. Bonds4

About 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one

2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 84666371) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID84666371
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCNCc1ncc(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-7(2)4-8-5-12-9(6-11-3)13-10(8)14/h5,7,11H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyWCICSNLGLWSHEH-UHFFFAOYSA-N
XLogP0.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one (CID 84666371) is 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one is CNCc1ncc(CC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is WCICSNLGLWSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)4-8-5-12-9(6-11-3)13-10(8)14/h5,7,11H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one?
2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84666371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).