2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

C19H19BrN4 — CID 112927219

IUPAC2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(Nc3ccc(Br)c(C)c3)n2)c1
InChIInChI=1S/C19H19BrN4/c1-12-5-4-6-15(9-12)22-18-11-14(3)21-19(24-18)23-16-7-8-17(20)13(2)10-16/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyLPVYYMOECDTIOT-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.65
Rot. Bonds4

About 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112927219) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112927219
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(Nc3ccc(Br)c(C)c3)n2)c1
InChIInChI=1S/C19H19BrN4/c1-12-5-4-6-15(9-12)22-18-11-14(3)21-19(24-18)23-16-7-8-17(20)13(2)10-16/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyLPVYYMOECDTIOT-UHFFFAOYSA-N
XLogP5.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
2-N-(3-bromophenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928197
2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929342
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112924762
6-methyl-2-N-(3-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112927291
2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927325
4-N-(4-bromo-3-methylphenyl)-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909200
6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112927170
2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927378
2-N-(3-bromophenyl)-4-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929488
4-N-(4-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929746

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112927219) is 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2cc(C)nc(Nc3ccc(Br)c(C)c3)n2)c1.
What is the InChIKey of 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LPVYYMOECDTIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-12-5-4-6-15(9-12)22-18-11-14(3)21-19(24-18)23-16-7-8-17(20)13(2)10-16/h4-11H,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).