4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine

C10H8ClFN4 — CID 80761188

IUPAC4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C10H8ClFN4/c11-6-2-1-3-7(4-6)15-9-8(12)5-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyHYNKQXZMEOSWMK-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.59
Rot. Bonds2

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

4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80761188) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80761188
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C10H8ClFN4/c11-6-2-1-3-7(4-6)15-9-8(12)5-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyHYNKQXZMEOSWMK-UHFFFAOYSA-N
XLogP2.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-5-fluoropyrimidin-4-yl)amino]benzonitrile
CID 80760407
4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine
CID 162195368
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80755046
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80772789
5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 80759997
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine (CID 80761188) is 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine is Nc1ncc(F)c(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is HYNKQXZMEOSWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-6-2-1-3-7(4-6)15-9-8(12)5-14-10(13)16-9/h1-5H,(H3,13,14,15,16).
What are the key properties of 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 238.65 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80761188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).