5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine

C13H16N4O — CID 4209968

IUPAC5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Cc2c(N)nc(C)nc2N)cc1
InChIInChI=1S/C13H16N4O/c1-8-16-12(14)11(13(15)17-8)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H4,14,15,16,17)
InChIKeyIRHFZPFFOFRZDF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.55
Rot. Bonds3

About 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine

5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 4209968) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
PubChem CID4209968
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Cc2c(N)nc(C)nc2N)cc1
InChIInChI=1S/C13H16N4O/c1-8-16-12(14)11(13(15)17-8)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H4,14,15,16,17)
InChIKeyIRHFZPFFOFRZDF-UHFFFAOYSA-N
XLogP1.55
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine (CID 4209968) is 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine is COc1ccc(Cc2c(N)nc(C)nc2N)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is IRHFZPFFOFRZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-16-12(14)11(13(15)17-8)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine?
5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 4209968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).