5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one

C13H15N3O — CID 83893681

IUPAC5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)12-15-8-11(7-14-2)13(17)16-12/h3-6,8,14H,7H2,1-2H3,(H,15,16,17)
InChIKeyDEDRYJPWDQZWMJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds3

About 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one

5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 83893681) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID83893681
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)12-15-8-11(7-14-2)13(17)16-12/h3-6,8,14H,7H2,1-2H3,(H,15,16,17)
InChIKeyDEDRYJPWDQZWMJ-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one (CID 83893681) is 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one is CNCc1cnc(-c2cccc(C)c2)[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is DEDRYJPWDQZWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-3-5-10(6-9)12-15-8-11(7-14-2)13(17)16-12/h3-6,8,14H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one?
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 229.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 83893681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).