2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine

C19H19BrN4 — CID 112902908

IUPAC2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C19H19BrN4/c1-3-24(16-7-5-4-6-8-16)18-11-12-21-19(23-18)22-15-10-9-14(2)17(20)13-15/h4-13H,3H2,1-2H3,(H,21,22,23)
InChIKeyGGUUMWTZSNTHCX-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.45
Rot. Bonds5

About 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine

2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902908) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112902908
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C19H19BrN4/c1-3-24(16-7-5-4-6-8-16)18-11-12-21-19(23-18)22-15-10-9-14(2)17(20)13-15/h4-13H,3H2,1-2H3,(H,21,22,23)
InChIKeyGGUUMWTZSNTHCX-UHFFFAOYSA-N
XLogP5.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902939
4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902949
methyl 3-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902928
2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902020
2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112902549
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
2-N-(3-bromo-4-methylphenyl)-4-N-butylpyrimidine-2,4-diamine
CID 112882918
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112895278
methyl 2-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902927
N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11473903

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine (CID 112902908) is 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1ccnc(Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is GGUUMWTZSNTHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-3-24(16-7-5-4-6-8-16)18-11-12-21-19(23-18)22-15-10-9-14(2)17(20)13-15/h4-13H,3H2,1-2H3,(H,21,22,23).
What are the key properties of 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).