4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine

C17H13BrF2N4 — CID 112930386

IUPAC4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Br)cc2)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C17H13BrF2N4/c1-10-8-16(22-13-5-2-11(18)3-6-13)24-17(21-10)23-15-7-4-12(19)9-14(15)20/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyRSZSTIMVWFKZDJ-UHFFFAOYSA-N
MW391.22 g/mol
LogP5.31
Rot. Bonds4

About 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930386) has the molecular formula C17H13BrF2N4 and a molecular weight of 391.22 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930386
Molecular FormulaC17H13BrF2N4
Molecular Weight391.22 g/mol
Exact Mass390.03
IUPAC Name4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Br)cc2)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C17H13BrF2N4/c1-10-8-16(22-13-5-2-11(18)3-6-13)24-17(21-10)23-15-7-4-12(19)9-14(15)20/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyRSZSTIMVWFKZDJ-UHFFFAOYSA-N
XLogP5.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.22
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931953
4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930755
4-N-(2,4-difluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931722
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110
2-N-(2,4-difluorophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928401
2-N-(4-bromophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928671
2-N-(3-bromophenyl)-4-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929488
2-N-(2,4-difluorophenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931279
4-N-(4-ethylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112928709
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927378
4-N-(4-bromophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928421

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112930386) is 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Br)cc2)nc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RSZSTIMVWFKZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N4/c1-10-8-16(22-13-5-2-11(18)3-6-13)24-17(21-10)23-15-7-4-12(19)9-14(15)20/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 391.22 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).