2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

C18H16BrFN4 — CID 112929342

IUPAC2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2F)nc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C18H16BrFN4/c1-11-9-13(7-8-14(11)19)22-18-21-12(2)10-17(24-18)23-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyLOHRDVAYUIMPOQ-UHFFFAOYSA-N
MW387.26 g/mol
LogP5.48
Rot. Bonds4

About 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112929342) has the molecular formula C18H16BrFN4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112929342
Molecular FormulaC18H16BrFN4
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2F)nc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C18H16BrFN4/c1-11-9-13(7-8-14(11)19)22-18-21-12(2)10-17(24-18)23-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyLOHRDVAYUIMPOQ-UHFFFAOYSA-N
XLogP5.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929302
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219
2-N-(2-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931941
2-N-(1,3-benzodioxol-5-yl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929343
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784
4-N-tert-butyl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924663
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
methyl 2-[[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112929325

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112929342) is 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2F)nc(Nc2ccc(Br)c(C)c2)n1.
What is the InChIKey of 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is LOHRDVAYUIMPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4/c1-11-9-13(7-8-14(11)19)22-18-21-12(2)10-17(24-18)23-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 387.26 g/mol, XLogP of 5.48, 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)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112929342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).