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

C16H11Cl3N4 — CID 112903612

IUPAC4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nccc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C16H11Cl3N4/c17-10-7-11(18)9-12(8-10)21-16-20-6-5-15(23-16)22-14-4-2-1-3-13(14)19/h1-9H,(H2,20,21,22,23)
InChIKeyZJIANSQIVUHPSQ-UHFFFAOYSA-N
MW365.65 g/mol
LogP5.92
Rot. Bonds4

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

4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 112903612) has the molecular formula C16H11Cl3N4 and a molecular weight of 365.65 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID112903612
Molecular FormulaC16H11Cl3N4
Molecular Weight365.65 g/mol
Exact Mass364.00
IUPAC Name4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nccc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C16H11Cl3N4/c17-10-7-11(18)9-12(8-10)21-16-20-6-5-15(23-16)22-14-4-2-1-3-13(14)19/h1-9H,(H2,20,21,22,23)
InChIKeyZJIANSQIVUHPSQ-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

N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
4-N-(2-chlorophenyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112903597
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
2-N-(3-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903722
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905832
4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 112903567
2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112903842
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
2-N-(2-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 112904141
2-N-(4-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903814
2-N-(1,3-benzodioxol-5-yl)-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112906443

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine (CID 112903612) is 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine is Clc1cc(Cl)cc(Nc2nccc(Nc3ccccc3Cl)n2)c1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is ZJIANSQIVUHPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4/c17-10-7-11(18)9-12(8-10)21-16-20-6-5-15(23-16)22-14-4-2-1-3-13(14)19/h1-9H,(H2,20,21,22,23).
What are the key properties of 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-2-N-(3,5-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 4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).