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

C16H11Cl2FN4 — CID 112903567

IUPAC4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(Nc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C16H11Cl2FN4/c17-10-1-6-14(13(18)9-10)22-15-7-8-20-16(23-15)21-12-4-2-11(19)3-5-12/h1-9H,(H2,20,21,22,23)
InChIKeyOCLVBEKIYUUGRG-UHFFFAOYSA-N
MW349.20 g/mol
LogP5.41
Rot. Bonds4

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

4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112903567) has the molecular formula C16H11Cl2FN4 and a molecular weight of 349.20 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID112903567
Molecular FormulaC16H11Cl2FN4
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(Nc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C16H11Cl2FN4/c17-10-1-6-14(13(18)9-10)22-15-7-8-20-16(23-15)21-12-4-2-11(19)3-5-12/h1-9H,(H2,20,21,22,23)
InChIKeyOCLVBEKIYUUGRG-UHFFFAOYSA-N
XLogP5.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.20
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906554
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904327
4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899779
2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906684
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
4-[[4-(2,5-dichloroanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906674
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904152
2-N-(4-bromophenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904489
4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112903612
4-[[4-(3-chloro-4-fluoroanilino)pyrimidin-2-yl]amino]benzenesulfonyl chloride
CID 86624104

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine (CID 112903567) is 4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2nccc(Nc3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is OCLVBEKIYUUGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4/c17-10-1-6-14(13(18)9-10)22-15-7-8-20-16(23-15)21-12-4-2-11(19)3-5-12/h1-9H,(H2,20,21,22,23).
What are the key properties of 4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 349.20 g/mol, XLogP of 5.41, 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-(4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).