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

C17H14BrClN4 — CID 11257777

IUPAC4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1
InChIInChI=1S/C17H14BrClN4/c1-10-2-5-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-3-11(18)4-7-13/h2-9H,1H3,(H3,20,21,22,23)
InChIKeyQPQFFNILTDPQNC-UHFFFAOYSA-N
MW389.68 g/mol
LogP5.19
Rot. Bonds3

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

4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 11257777) has the molecular formula C17H14BrClN4 and a molecular weight of 389.68 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID11257777
Molecular FormulaC17H14BrClN4
Molecular Weight389.68 g/mol
Exact Mass388.01
IUPAC Name4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1
InChIInChI=1S/C17H14BrClN4/c1-10-2-5-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-3-11(18)4-7-13/h2-9H,1H3,(H3,20,21,22,23)
InChIKeyQPQFFNILTDPQNC-UHFFFAOYSA-N
XLogP5.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.68
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine (CID 11257777) is 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is QPQFFNILTDPQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN4/c1-10-2-5-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-3-11(18)4-7-13/h2-9H,1H3,(H3,20,21,22,23).
What are the key properties of 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine?
4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 389.68 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11257777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).