5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine

C29H24N4 — CID 22060710

IUPAC5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2-c2ccccc2)nc1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C29H24N4/c1-21-20-30-29(32-27-19-11-9-17-25(27)23-14-6-3-7-15-23)33-28(21)31-26-18-10-8-16-24(26)22-12-4-2-5-13-22/h2-20H,1H3,(H2,30,31,32,33)
InChIKeyPFGYVNRLZNDZRD-UHFFFAOYSA-N
MW428.54 g/mol
LogP7.61
Rot. Bonds6

About 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine

5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine (PubChem CID 22060710) has the molecular formula C29H24N4 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine
PubChem CID22060710
Molecular FormulaC29H24N4
Molecular Weight428.54 g/mol
Exact Mass428.20
IUPAC Name5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2-c2ccccc2)nc1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C29H24N4/c1-21-20-30-29(32-27-19-11-9-17-25(27)23-14-6-3-7-15-23)33-28(21)31-26-18-10-8-16-24(26)22-12-4-2-5-13-22/h2-20H,1H3,(H2,30,31,32,33)
InChIKeyPFGYVNRLZNDZRD-UHFFFAOYSA-N
XLogP7.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-N,4-N-diphenylpyrimidine-2,4-diamine
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N-(2-phenylethyl)quinazolin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine (CID 22060710) is 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine is Cc1cnc(Nc2ccccc2-c2ccccc2)nc1Nc1ccccc1-c1ccccc1.
What is the InChIKey of 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine?
The InChIKey is PFGYVNRLZNDZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4/c1-21-20-30-29(32-27-19-11-9-17-25(27)23-14-6-3-7-15-23)33-28(21)31-26-18-10-8-16-24(26)22-12-4-2-5-13-22/h2-20H,1H3,(H2,30,31,32,33).
What are the key properties of 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine?
5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine has a molecular weight of 428.54 g/mol, XLogP of 7.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 22060710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).