4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine

C17H13Cl2FN4 — CID 112891344

IUPAC4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESFc1ccccc1CNc1nccc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H13Cl2FN4/c18-12-5-6-15(13(19)9-12)23-16-7-8-21-17(24-16)22-10-11-3-1-2-4-14(11)20/h1-9H,10H2,(H2,21,22,23,24)
InChIKeyAJFRCJXXTBTXJB-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.28
Rot. Bonds5

About 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine

4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112891344) has the molecular formula C17H13Cl2FN4 and a molecular weight of 363.22 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112891344
Molecular FormulaC17H13Cl2FN4
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESFc1ccccc1CNc1nccc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H13Cl2FN4/c18-12-5-6-15(13(19)9-12)23-16-7-8-21-17(24-16)22-10-11-3-1-2-4-14(11)20/h1-9H,10H2,(H2,21,22,23,24)
InChIKeyAJFRCJXXTBTXJB-UHFFFAOYSA-N
XLogP5.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.22
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891825
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158
4-N-(3-chloro-4-fluorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891827
4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906554
4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 112903567
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891261
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250
2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891339
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894617
4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894660
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
5-N-(2,4-dichlorophenyl)-3-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953615

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine (CID 112891344) is 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine is Fc1ccccc1CNc1nccc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AJFRCJXXTBTXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN4/c18-12-5-6-15(13(19)9-12)23-16-7-8-21-17(24-16)22-10-11-3-1-2-4-14(11)20/h1-9H,10H2,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 363.22 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112891344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).