5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione

C14H18N4O2 — CID 18334315

IUPAC5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione
SMILESCc1ccc(CCn2c(N)c(N)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H18N4O2/c1-9-3-5-10(6-4-9)7-8-18-12(16)11(15)13(19)17(2)14(18)20/h3-6H,7-8,15-16H2,1-2H3
InChIKeySSKRNNJEYDKAKZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.26
Rot. Bonds3

About 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione

5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione (PubChem CID 18334315) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione
PubChem CID18334315
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione
SMILESCc1ccc(CCn2c(N)c(N)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H18N4O2/c1-9-3-5-10(6-4-9)7-8-18-12(16)11(15)13(19)17(2)14(18)20/h3-6H,7-8,15-16H2,1-2H3
InChIKeySSKRNNJEYDKAKZ-UHFFFAOYSA-N
XLogP0.26
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione (CID 18334315) is 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione is Cc1ccc(CCn2c(N)c(N)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione?
The InChIKey is SSKRNNJEYDKAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-3-5-10(6-4-9)7-8-18-12(16)11(15)13(19)17(2)14(18)20/h3-6H,7-8,15-16H2,1-2H3.
What are the key properties of 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione?
5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-methyl-1-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 18334315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).