6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione

C12H13N3O2 — CID 12659494

IUPAC6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Cc2c(N)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H13N3O2/c1-7-2-4-8(5-3-7)6-9-10(13)14-12(17)15-11(9)16/h2-5H,6H2,1H3,(H4,13,14,15,16,17)
InChIKeyUBWAEPVZGGSHPG-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.54
Rot. Bonds2

About 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione

6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 12659494) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID12659494
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Cc2c(N)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H13N3O2/c1-7-2-4-8(5-3-7)6-9-10(13)14-12(17)15-11(9)16/h2-5H,6H2,1H3,(H4,13,14,15,16,17)
InChIKeyUBWAEPVZGGSHPG-UHFFFAOYSA-N
XLogP0.54
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 22380532
6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83956057
5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83955036
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83952351
4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644715
5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83952471
6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 137199518
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410674
5-[(4-ethylphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 46706312
2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135624606

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 12659494) is 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione is Cc1ccc(Cc2c(N)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UBWAEPVZGGSHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-2-4-8(5-3-7)6-9-10(13)14-12(17)15-11(9)16/h2-5H,6H2,1H3,(H4,13,14,15,16,17).
What are the key properties of 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 231.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12659494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).