4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine

C11H10Cl2N4 — CID 104728696

IUPAC4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Cl)c(Nc2ccnc(N)n2)cc1Cl
InChIInChI=1S/C11H10Cl2N4/c1-6-4-8(13)9(5-7(6)12)16-10-2-3-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyBMCGOMSFNWVORZ-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.42
Rot. Bonds2

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

4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 104728696) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID104728696
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Cl)c(Nc2ccnc(N)n2)cc1Cl
InChIInChI=1S/C11H10Cl2N4/c1-6-4-8(13)9(5-7(6)12)16-10-2-3-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyBMCGOMSFNWVORZ-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine (CID 104728696) is 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine is Cc1cc(Cl)c(Nc2ccnc(N)n2)cc1Cl.
What is the InChIKey of 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BMCGOMSFNWVORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-6-4-8(13)9(5-7(6)12)16-10-2-3-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine?
4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 269.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 104728696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).