4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine

C17H14BrClN4 — CID 112929774

IUPAC4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2Br)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C17H14BrClN4/c1-11-9-16(22-15-8-3-2-7-14(15)18)23-17(20-11)21-13-6-4-5-12(19)10-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyKDUPETCWOWMPQI-UHFFFAOYSA-N
MW389.68 g/mol
LogP5.69
Rot. Bonds4

About 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112929774) has the molecular formula C17H14BrClN4 and a molecular weight of 389.68 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112929774
Molecular FormulaC17H14BrClN4
Molecular Weight389.68 g/mol
Exact Mass388.01
IUPAC Name4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2Br)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C17H14BrClN4/c1-11-9-16(22-15-8-3-2-7-14(15)18)23-17(20-11)21-13-6-4-5-12(19)10-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyKDUPETCWOWMPQI-UHFFFAOYSA-N
XLogP5.69
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.68
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929746
2-[[2-(3-chloroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112929783
2-N-(3-chlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929778
2-N-(2-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931941
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926979
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926921
N-[3-[[4-(3-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929714
4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112929719
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112924833
4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929729
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112929774) is 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2Br)nc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is KDUPETCWOWMPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN4/c1-11-9-16(22-15-8-3-2-7-14(15)18)23-17(20-11)21-13-6-4-5-12(19)10-13/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 389.68 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112929774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).