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

C17H14Cl2N4 — CID 11313962

IUPAC6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(-c3cc(Cl)ccc3Cl)nc(N)n2)cc1
InChIInChI=1S/C17H14Cl2N4/c1-10-2-5-12(6-3-10)21-16-9-15(22-17(20)23-16)13-8-11(18)4-7-14(13)19/h2-9H,1H3,(H3,20,21,22,23)
InChIKeyMKHXMFNLCSJLFO-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.08
Rot. Bonds3

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

6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 11313962) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID11313962
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(-c3cc(Cl)ccc3Cl)nc(N)n2)cc1
InChIInChI=1S/C17H14Cl2N4/c1-10-2-5-12(6-3-10)21-16-9-15(22-17(20)23-16)13-8-11(18)4-7-14(13)19/h2-9H,1H3,(H3,20,21,22,23)
InChIKeyMKHXMFNLCSJLFO-UHFFFAOYSA-N
XLogP5.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 11313962) is 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2cc(-c3cc(Cl)ccc3Cl)nc(N)n2)cc1.
What is the InChIKey of 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is MKHXMFNLCSJLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c1-10-2-5-12(6-3-10)21-16-9-15(22-17(20)23-16)13-8-11(18)4-7-14(13)19/h2-9H,1H3,(H3,20,21,22,23).
What are the key properties of 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 345.23 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11313962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).