5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine

C11H11FN4S — CID 80759997

IUPAC5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCSc1ccc(Nc2nc(N)ncc2F)cc1
InChIInChI=1S/C11H11FN4S/c1-17-8-4-2-7(3-5-8)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyARKMBVDAMDGCOO-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.66
Rot. Bonds3

About 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 80759997) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID80759997
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCSc1ccc(Nc2nc(N)ncc2F)cc1
InChIInChI=1S/C11H11FN4S/c1-17-8-4-2-7(3-5-8)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyARKMBVDAMDGCOO-UHFFFAOYSA-N
XLogP2.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylsulfanylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 67156431
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
4-N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
3-[(2-amino-5-fluoropyrimidin-4-yl)amino]benzonitrile
CID 80760407
4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
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
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine (CID 80759997) is 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine is CSc1ccc(Nc2nc(N)ncc2F)cc1.
What is the InChIKey of 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ARKMBVDAMDGCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c1-17-8-4-2-7(3-5-8)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 250.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80759997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).