5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine

C11H9ClF2N4 — CID 103587802

IUPAC5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(F)c(Nc2nc(N)ncc2Cl)cc1F
InChIInChI=1S/C11H9ClF2N4/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(15)18-10/h2-4H,1H3,(H3,15,16,17,18)
InChIKeyHWCDVXYEQIBTBZ-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.04
Rot. Bonds2

About 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 103587802) has the molecular formula C11H9ClF2N4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID103587802
Molecular FormulaC11H9ClF2N4
Molecular Weight270.67 g/mol
Exact Mass270.05
IUPAC Name5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(F)c(Nc2nc(N)ncc2Cl)cc1F
InChIInChI=1S/C11H9ClF2N4/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(15)18-10/h2-4H,1H3,(H3,15,16,17,18)
InChIKeyHWCDVXYEQIBTBZ-UHFFFAOYSA-N
XLogP3.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 103587868
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 103587907
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine (CID 103587802) is 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine is Cc1cc(F)c(Nc2nc(N)ncc2Cl)cc1F.
What is the InChIKey of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HWCDVXYEQIBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(15)18-10/h2-4H,1H3,(H3,15,16,17,18).
What are the key properties of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 270.67 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103587802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).