4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine

C16H13Cl3N4 — CID 68984508

IUPAC4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccc(Cl)cc2)C=C(c2cc(Cl)ccc2Cl)N1
InChIInChI=1S/C16H13Cl3N4/c17-10-3-1-9(2-4-10)16(21)8-14(22-15(20)23-16)12-7-11(18)5-6-13(12)19/h1-8H,21H2,(H3,20,22,23)
InChIKeyKNJUJSCAHMIMCY-UHFFFAOYSA-N
MW367.67 g/mol
LogP3.72
Rot. Bonds2

About 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine

4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine (PubChem CID 68984508) has the molecular formula C16H13Cl3N4 and a molecular weight of 367.67 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine
PubChem CID68984508
Molecular FormulaC16H13Cl3N4
Molecular Weight367.67 g/mol
Exact Mass366.02
IUPAC Name4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccc(Cl)cc2)C=C(c2cc(Cl)ccc2Cl)N1
InChIInChI=1S/C16H13Cl3N4/c17-10-3-1-9(2-4-10)16(21)8-14(22-15(20)23-16)12-7-11(18)5-6-13(12)19/h1-8H,21H2,(H3,20,22,23)
InChIKeyKNJUJSCAHMIMCY-UHFFFAOYSA-N
XLogP3.72
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine (CID 68984508) is 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(c2ccc(Cl)cc2)C=C(c2cc(Cl)ccc2Cl)N1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is KNJUJSCAHMIMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N4/c17-10-3-1-9(2-4-10)16(21)8-14(22-15(20)23-16)12-7-11(18)5-6-13(12)19/h1-8H,21H2,(H3,20,22,23).
What are the key properties of 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine?
4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 367.67 g/mol, XLogP of 3.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(2,5-dichlorophenyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 68984508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).