6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine

C18H18BrN5 — CID 22546240

IUPAC6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3ccc(Br)cc3)c2N)cc1C
InChIInChI=1S/C18H18BrN5/c1-11-3-6-15(9-12(11)2)24-18-16(20)17(21-10-22-18)23-14-7-4-13(19)5-8-14/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyPBRJTLQACQWYHI-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.93
Rot. Bonds4

About 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine

6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22546240) has the molecular formula C18H18BrN5 and a molecular weight of 384.28 g/mol. Its IUPAC name is 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22546240
Molecular FormulaC18H18BrN5
Molecular Weight384.28 g/mol
Exact Mass383.07
IUPAC Name6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3ccc(Br)cc3)c2N)cc1C
InChIInChI=1S/C18H18BrN5/c1-11-3-6-15(9-12(11)2)24-18-16(20)17(21-10-22-18)23-14-7-4-13(19)5-8-14/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyPBRJTLQACQWYHI-UHFFFAOYSA-N
XLogP4.93
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
6-N-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547057
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544983
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
4-N-(4-chloro-2-methylphenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546140
4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
CID 22546221
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 22546240) is 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(Nc3ccc(Br)cc3)c2N)cc1C.
What is the InChIKey of 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is PBRJTLQACQWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5/c1-11-3-6-15(9-12(11)2)24-18-16(20)17(21-10-22-18)23-14-7-4-13(19)5-8-14/h3-10H,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine?
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 384.28 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22546240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).