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

C16H12BrCl2N5 — CID 22544983

IUPAC6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Br)cc2)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12BrCl2N5/c17-9-1-3-12(4-2-9)23-15-14(20)16(22-8-21-15)24-13-6-10(18)5-11(19)7-13/h1-8H,20H2,(H2,21,22,23,24)
InChIKeyYCBJZAUFROIIPF-UHFFFAOYSA-N
MW425.12 g/mol
LogP5.62
Rot. Bonds4

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

6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544983) has the molecular formula C16H12BrCl2N5 and a molecular weight of 425.12 g/mol. Its IUPAC name is 6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID22544983
Molecular FormulaC16H12BrCl2N5
Molecular Weight425.12 g/mol
Exact Mass422.97
IUPAC Name6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Br)cc2)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12BrCl2N5/c17-9-1-3-12(4-2-9)23-15-14(20)16(22-8-21-15)24-13-6-10(18)5-11(19)7-13/h1-8H,20H2,(H2,21,22,23,24)
InChIKeyYCBJZAUFROIIPF-UHFFFAOYSA-N
XLogP5.62
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.12
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
6-N-(4-bromophenyl)-4-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541226
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
4-N-(4-bromophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19148860
6-N-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547057
6-N-(3,5-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22544886

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 22544983) is 6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is YCBJZAUFROIIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2N5/c17-9-1-3-12(4-2-9)23-15-14(20)16(22-8-21-15)24-13-6-10(18)5-11(19)7-13/h1-8H,20H2,(H2,21,22,23,24).
What are the key properties of 6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 425.12 g/mol, XLogP of 5.62, 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-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).