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

C17H16N4 — CID 673737

IUPAC6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H16N4/c1-13-12-16(19-14-8-4-2-5-9-14)21-17(18-13)20-15-10-6-3-7-11-15/h2-12H,1H3,(H2,18,19,20,21)
InChIKeyYVQUWEFMSHGPRA-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.27
Rot. Bonds4

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

6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine (PubChem CID 673737) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine
PubChem CID673737
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H16N4/c1-13-12-16(19-14-8-4-2-5-9-14)21-17(18-13)20-15-10-6-3-7-11-15/h2-12H,1H3,(H2,18,19,20,21)
InChIKeyYVQUWEFMSHGPRA-UHFFFAOYSA-N
XLogP4.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine (CID 673737) is 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine?
The InChIKey is YVQUWEFMSHGPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-13-12-16(19-14-8-4-2-5-9-14)21-17(18-13)20-15-10-6-3-7-11-15/h2-12H,1H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine?
6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine has a molecular weight of 276.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine is sourced from PubChem (CID 673737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).