5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine

C10H7Cl3N4 — CID 80769033

IUPAC5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)16-9-8(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyBMJQJXKJKBZSQY-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.76
Rot. Bonds2

About 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 80769033) has the molecular formula C10H7Cl3N4 and a molecular weight of 289.55 g/mol. Its IUPAC name is 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID80769033
Molecular FormulaC10H7Cl3N4
Molecular Weight289.55 g/mol
Exact Mass287.97
IUPAC Name5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)16-9-8(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyBMJQJXKJKBZSQY-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-2-chlorobenzonitrile
CID 112736241
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049792
5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80931413
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
CID 135406299

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine (CID 80769033) is 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is BMJQJXKJKBZSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)16-9-8(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 289.55 g/mol, XLogP of 3.76, 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-(3,4-dichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80769033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).