5-benzyl-6-methylpyrimidine-2,4-diamine

C12H14N4 — CID 516689

IUPAC5-benzyl-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1Cc1ccccc1
InChIInChI=1S/C12H14N4/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKeyXUVFLMZAMCGKSH-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.54
Rot. Bonds2

About 5-benzyl-6-methylpyrimidine-2,4-diamine

5-benzyl-6-methylpyrimidine-2,4-diamine (PubChem CID 516689) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-benzyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-benzyl-6-methylpyrimidine-2,4-diamine
PubChem CID516689
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-benzyl-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1Cc1ccccc1
InChIInChI=1S/C12H14N4/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKeyXUVFLMZAMCGKSH-UHFFFAOYSA-N
XLogP1.54
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-benzyl-6-methylpyrimidine-2,4-diamine (CID 516689) is 5-benzyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-benzyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-benzyl-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is XUVFLMZAMCGKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16).
What are the key properties of 5-benzyl-6-methylpyrimidine-2,4-diamine?
5-benzyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 516689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).