6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine

C17H14Br2N4 — CID 11396375

IUPAC6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1
InChIInChI=1S/C17H14Br2N4/c1-10-2-3-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-4-11(18)5-7-13/h2-9H,1H3,(H3,20,21,22,23)
InChIKeyDVPKOPBOPDEECK-UHFFFAOYSA-N
MW434.14 g/mol
LogP5.30
Rot. Bonds3

About 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine

6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine (PubChem CID 11396375) has the molecular formula C17H14Br2N4 and a molecular weight of 434.14 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine
PubChem CID11396375
Molecular FormulaC17H14Br2N4
Molecular Weight434.14 g/mol
Exact Mass431.96
IUPAC Name6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1
InChIInChI=1S/C17H14Br2N4/c1-10-2-3-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-4-11(18)5-7-13/h2-9H,1H3,(H3,20,21,22,23)
InChIKeyDVPKOPBOPDEECK-UHFFFAOYSA-N
XLogP5.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.14
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine (CID 11396375) is 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine is Cc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1.
What is the InChIKey of 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine?
The InChIKey is DVPKOPBOPDEECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N4/c1-10-2-3-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-4-11(18)5-7-13/h2-9H,1H3,(H3,20,21,22,23).
What are the key properties of 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine?
6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine has a molecular weight of 434.14 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenyl)-4-N-(4-bromophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11396375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).