4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine

C16H10Cl2F2N4 — CID 112906554

IUPAC4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(Nc3ccc(Cl)cc3Cl)n2)c(F)c1
InChIInChI=1S/C16H10Cl2F2N4/c17-9-1-3-13(11(18)7-9)22-15-5-6-21-16(24-15)23-14-4-2-10(19)8-12(14)20/h1-8H,(H2,21,22,23,24)
InChIKeyYWPMNAZRSQLPCD-UHFFFAOYSA-N
MW367.19 g/mol
LogP5.55
Rot. Bonds4

About 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine

4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112906554) has the molecular formula C16H10Cl2F2N4 and a molecular weight of 367.19 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
PubChem CID112906554
Molecular FormulaC16H10Cl2F2N4
Molecular Weight367.19 g/mol
Exact Mass366.03
IUPAC Name4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(Nc3ccc(Cl)cc3Cl)n2)c(F)c1
InChIInChI=1S/C16H10Cl2F2N4/c17-9-1-3-13(11(18)7-9)22-15-5-6-21-16(24-15)23-14-4-2-10(19)8-12(14)20/h1-8H,(H2,21,22,23,24)
InChIKeyYWPMNAZRSQLPCD-UHFFFAOYSA-N
XLogP5.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.19
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 112903567
N-(2,4-difluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927965
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904246
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899779
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904327
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112891749
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
2-N-(4-chloro-2-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904048
2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906684
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine (CID 112906554) is 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2nccc(Nc3ccc(Cl)cc3Cl)n2)c(F)c1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is YWPMNAZRSQLPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N4/c17-9-1-3-13(11(18)7-9)22-15-5-6-21-16(24-15)23-14-4-2-10(19)8-12(14)20/h1-8H,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 367.19 g/mol, XLogP of 5.55, 4 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-(2,4-difluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112906554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).