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

C16H12BrFN4 — CID 112903448

IUPAC2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccccc1Nc1ccnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C16H12BrFN4/c17-11-4-3-5-12(10-11)20-16-19-9-8-15(22-16)21-14-7-2-1-6-13(14)18/h1-10H,(H2,19,20,21,22)
InChIKeyIJUQVYQUQNEMHG-UHFFFAOYSA-N
MW359.20 g/mol
LogP4.87
Rot. Bonds4

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

2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112903448) has the molecular formula C16H12BrFN4 and a molecular weight of 359.20 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID112903448
Molecular FormulaC16H12BrFN4
Molecular Weight359.20 g/mol
Exact Mass358.02
IUPAC Name2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccccc1Nc1ccnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C16H12BrFN4/c17-11-4-3-5-12(10-11)20-16-19-9-8-15(22-16)21-14-7-2-1-6-13(14)18/h1-10H,(H2,19,20,21,22)
InChIKeyIJUQVYQUQNEMHG-UHFFFAOYSA-N
XLogP4.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904556
4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112902818
2-N-(2-bromophenyl)-4-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112906278
4-N-(3-bromophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891612
4-N-(4-bromo-2-methylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906391
2-N-(3-bromophenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899325
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
2-[[4-(2-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid
CID 70702147
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894171
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine (CID 112903448) is 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine is Fc1ccccc1Nc1ccnc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is IJUQVYQUQNEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4/c17-11-4-3-5-12(10-11)20-16-19-9-8-15(22-16)21-14-7-2-1-6-13(14)18/h1-10H,(H2,19,20,21,22).
What are the key properties of 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 359.20 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).