5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one

C12H13N3O — CID 115114513

IUPAC5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one
SMILESCc1ccc(-n2cnc(=O)c(CN)c2)cc1
InChIInChI=1S/C12H13N3O/c1-9-2-4-11(5-3-9)15-7-10(6-13)12(16)14-8-15/h2-5,7-8H,6,13H2,1H3
InChIKeyYGXZABOJYIUBAX-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.00
Rot. Bonds2

About 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one

5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one (PubChem CID 115114513) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one
PubChem CID115114513
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one
SMILESCc1ccc(-n2cnc(=O)c(CN)c2)cc1
InChIInChI=1S/C12H13N3O/c1-9-2-4-11(5-3-9)15-7-10(6-13)12(16)14-8-15/h2-5,7-8H,6,13H2,1H3
InChIKeyYGXZABOJYIUBAX-UHFFFAOYSA-N
XLogP1.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(4-methylphenyl)imidazole
CID 66520738
4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
CID 141054781
5-amino-1-(4-bromophenyl)pyrimidin-4-one
CID 115114523
2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid
CID 83894198
[1-(4-bromophenyl)imidazol-4-yl]methanamine
CID 82481393
5-amino-1-phenylpyrimidin-4-one
CID 115114476
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine
CID 82471356
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one
CID 115114560
4-(2-aminoethyl)-2-(4-methylphenyl)-1H-pyrazol-5-one
CID 83887670
[1-[4-(aminomethyl)phenyl]imidazol-4-yl]methanol
CID 174723685

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one (CID 115114513) is 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one is Cc1ccc(-n2cnc(=O)c(CN)c2)cc1.
What is the InChIKey of 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one?
The InChIKey is YGXZABOJYIUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-2-4-11(5-3-9)15-7-10(6-13)12(16)14-8-15/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one?
5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one has a molecular weight of 215.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one is sourced from PubChem (CID 115114513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).