6-methyl-4-N-phenylpyrimidine-2,4-diamine

C11H12N4 — CID 608203

IUPAC6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(N)n1
InChIInChI=1S/C11H12N4/c1-8-7-10(15-11(12)13-8)14-9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13,14,15)
InChIKeyFHBLLCUQBZVVMP-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.11
Rot. Bonds2

About 6-methyl-4-N-phenylpyrimidine-2,4-diamine

6-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 608203) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID608203
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(N)n1
InChIInChI=1S/C11H12N4/c1-8-7-10(15-11(12)13-8)14-9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13,14,15)
InChIKeyFHBLLCUQBZVVMP-UHFFFAOYSA-N
XLogP2.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 608203) is 6-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is FHBLLCUQBZVVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8-7-10(15-11(12)13-8)14-9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13,14,15).
What are the key properties of 6-methyl-4-N-phenylpyrimidine-2,4-diamine?
6-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 200.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 608203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).