2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine

C19H19BrN4 — CID 112928595

IUPAC2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(C)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C19H19BrN4/c1-3-14-8-4-6-10-16(14)22-18-12-13(2)21-19(24-18)23-17-11-7-5-9-15(17)20/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyPCJGZLQNCXJUBL-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.60
Rot. Bonds5

About 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine

2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112928595) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112928595
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(C)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C19H19BrN4/c1-3-14-8-4-6-10-16(14)22-18-12-13(2)21-19(24-18)23-17-11-7-5-9-15(17)20/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyPCJGZLQNCXJUBL-UHFFFAOYSA-N
XLogP5.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315
4-N-(2-ethylphenyl)-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928565
2-N-(2-ethylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928662
2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930517
4-N-(2-ethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916817
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112924833
2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918116
4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929774
2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925222
2-N-(2-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931941

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112928595) is 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine is CCc1ccccc1Nc1cc(C)nc(Nc2ccccc2Br)n1.
What is the InChIKey of 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is PCJGZLQNCXJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-3-14-8-4-6-10-16(14)22-18-12-13(2)21-19(24-18)23-17-11-7-5-9-15(17)20/h4-12H,3H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).