5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

C20H17BrN6O — CID 142898991

IUPAC5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(-n4ccnc4)cc3)ncc2Br)cc1
InChIInChI=1S/C20H17BrN6O/c1-28-17-8-4-14(5-9-17)24-19-18(21)12-23-20(26-19)25-15-2-6-16(7-3-15)27-11-10-22-13-27/h2-13H,1H3,(H2,23,24,25,26)
InChIKeyVUFRLVMJWCCXHW-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.92
Rot. Bonds6

About 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 142898991) has the molecular formula C20H17BrN6O and a molecular weight of 437.30 g/mol. Its IUPAC name is 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID142898991
Molecular FormulaC20H17BrN6O
Molecular Weight437.30 g/mol
Exact Mass436.06
IUPAC Name5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(-n4ccnc4)cc3)ncc2Br)cc1
InChIInChI=1S/C20H17BrN6O/c1-28-17-8-4-14(5-9-17)24-19-18(21)12-23-20(26-19)25-15-2-6-16(7-3-15)27-11-10-22-13-27/h2-13H,1H3,(H2,23,24,25,26)
InChIKeyVUFRLVMJWCCXHW-UHFFFAOYSA-N
XLogP4.92
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-bromo-4-(4-methoxyanilino)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 142898924
4-(4-imidazol-1-ylphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-2-amine
CID 58910566
4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 117089740
5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
CID 59353304
4-[[5-bromo-4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58890907
3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]-N-prop-1-en-2-ylbenzenesulfonamide
CID 89190588
5-bromo-2-N-(4-methylsulfanylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 59683156
5-bromo-2-N-[4-(dimethylamino)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 11668111
4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine
CID 90389872
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 142898991) is 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc(-n4ccnc4)cc3)ncc2Br)cc1.
What is the InChIKey of 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is VUFRLVMJWCCXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN6O/c1-28-17-8-4-14(5-9-17)24-19-18(21)12-23-20(26-19)25-15-2-6-16(7-3-15)27-11-10-22-13-27/h2-13H,1H3,(H2,23,24,25,26).
What are the key properties of 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 437.30 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 142898991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).