5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine

C10H8Cl2N4 — CID 80761203

IUPAC5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H8Cl2N4/c11-6-1-3-7(4-2-6)15-9-8(12)5-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyWEFXNCMZXWCSRH-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.11
Rot. Bonds2

About 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine (PubChem CID 80761203) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
PubChem CID80761203
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H8Cl2N4/c11-6-1-3-7(4-2-6)15-9-8(12)5-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyWEFXNCMZXWCSRH-UHFFFAOYSA-N
XLogP3.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-2-chlorobenzonitrile
CID 112736241
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
3,5-dichloro-N-(4-chlorophenyl)-6-hydrazinylpyridin-2-amine
CID 102762339
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine (CID 80761203) is 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WEFXNCMZXWCSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c11-6-1-3-7(4-2-6)15-9-8(12)5-14-10(13)16-9/h1-5H,(H3,13,14,15,16).
What are the key properties of 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 255.11 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80761203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).