4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine

C17H15BrN4 — CID 112876895

IUPAC4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2)cc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C17H15BrN4/c1-12-19-16(21-14-5-3-2-4-6-14)11-17(20-12)22-15-9-7-13(18)8-10-15/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyDVWGTSGMEPFVLA-UHFFFAOYSA-N
MW355.24 g/mol
LogP5.03
Rot. Bonds4

About 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine

4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 112876895) has the molecular formula C17H15BrN4 and a molecular weight of 355.24 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
PubChem CID112876895
Molecular FormulaC17H15BrN4
Molecular Weight355.24 g/mol
Exact Mass354.05
IUPAC Name4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2)cc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C17H15BrN4/c1-12-19-16(21-14-5-3-2-4-6-14)11-17(20-12)22-15-9-7-13(18)8-10-15/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyDVWGTSGMEPFVLA-UHFFFAOYSA-N
XLogP5.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.24
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872117
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
6-N-(4-bromophenyl)-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878248
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939
4-N-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869563
4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870290
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine
CID 154882747

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine (CID 112876895) is 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine is Cc1nc(Nc2ccccc2)cc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is DVWGTSGMEPFVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4/c1-12-19-16(21-14-5-3-2-4-6-14)11-17(20-12)22-15-9-7-13(18)8-10-15/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 355.24 g/mol, XLogP of 5.03, 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-methyl-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).