4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine

C18H17BrN4 — CID 112902818

IUPAC4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1nccc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C18H17BrN4/c1-2-13-6-3-4-9-16(13)22-18-20-11-10-17(23-18)21-15-8-5-7-14(19)12-15/h3-12H,2H2,1H3,(H2,20,21,22,23)
InChIKeyGRJTXGVXCKZXDR-UHFFFAOYSA-N
MW369.27 g/mol
LogP5.29
Rot. Bonds5

About 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine

4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine (PubChem CID 112902818) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
PubChem CID112902818
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1nccc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C18H17BrN4/c1-2-13-6-3-4-9-16(13)22-18-20-11-10-17(23-18)21-15-8-5-7-14(19)12-15/h3-12H,2H2,1H3,(H2,20,21,22,23)
InChIKeyGRJTXGVXCKZXDR-UHFFFAOYSA-N
XLogP5.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.27
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903448
2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904556
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894171
2-N-(2-bromophenyl)-4-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112906278
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
4-N-(3-bromophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891612
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112901390
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886080

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine (CID 112902818) is 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine is CCc1ccccc1Nc1nccc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GRJTXGVXCKZXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c1-2-13-6-3-4-9-16(13)22-18-20-11-10-17(23-18)21-15-8-5-7-14(19)12-15/h3-12H,2H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine?
4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 369.27 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).