2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine

C16H11Cl3N4 — CID 112903842

IUPAC2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
SMILESClc1ccc(Nc2nccc(Nc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C16H11Cl3N4/c17-10-4-6-11(7-5-10)21-16-20-9-8-14(23-16)22-15-12(18)2-1-3-13(15)19/h1-9H,(H2,20,21,22,23)
InChIKeyJMWCOSSNZRDMQD-UHFFFAOYSA-N
MW365.65 g/mol
LogP5.92
Rot. Bonds4

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

2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 112903842) has the molecular formula C16H11Cl3N4 and a molecular weight of 365.65 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID112903842
Molecular FormulaC16H11Cl3N4
Molecular Weight365.65 g/mol
Exact Mass364.00
IUPAC Name2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
SMILESClc1ccc(Nc2nccc(Nc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C16H11Cl3N4/c17-10-4-6-11(7-5-10)21-16-20-9-8-14(23-16)22-15-12(18)2-1-3-13(15)19/h1-9H,(H2,20,21,22,23)
InChIKeyJMWCOSSNZRDMQD-UHFFFAOYSA-N
XLogP5.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,6-dichlorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905213
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112904153
2-N-(4-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903814
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
4-N-(2,3-dichlorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905254
4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112903612
4-N-(4-chlorophenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112903764
4-[[2-(2,3-dichloroanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112906722
2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112906065
4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 112903567
4-N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-N-phenylpyrimidine-2,4-diamine
CID 141033852

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine (CID 112903842) is 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine is Clc1ccc(Nc2nccc(Nc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is JMWCOSSNZRDMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4/c17-10-4-6-11(7-5-10)21-16-20-9-8-14(23-16)22-15-12(18)2-1-3-13(15)19/h1-9H,(H2,20,21,22,23).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 365.65 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).