2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one

C12H13N3O — CID 135577957

IUPAC2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCNCc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H13N3O/c1-13-8-11-14-10(7-12(16)15-11)9-5-3-2-4-6-9/h2-7,13H,8H2,1H3,(H,14,15,16)
InChIKeyBBKPEDVZWUTYFL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.16
Rot. Bonds3

About 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one

2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135577957) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135577957
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCNCc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H13N3O/c1-13-8-11-14-10(7-12(16)15-11)9-5-3-2-4-6-9/h2-7,13H,8H2,1H3,(H,14,15,16)
InChIKeyBBKPEDVZWUTYFL-UHFFFAOYSA-N
XLogP1.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136964506
6-oxo-4-phenyl-1H-pyrimidine-2-sulfonic acid
CID 151172455
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
methyl 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135561455
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
2-(3-oxobutylsulfanyl)-4-phenyl-1H-pyrimidin-6-one
CID 137010360
2-(chloromethyl)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 137119592
2-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 135848229
N-(4-hydroxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135552414
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1H-pyrimidin-6-one
CID 135423688

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one (CID 135577957) is 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one is CNCc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is BBKPEDVZWUTYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-8-11-14-10(7-12(16)15-11)9-5-3-2-4-6-9/h2-7,13H,8H2,1H3,(H,14,15,16).
What are the key properties of 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one?
2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135577957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).