5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

C10H10FN5S — CID 80891890

IUPAC5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncc(C)cn2)n1
InChIInChI=1S/C10H10FN5S/c1-6-3-14-10(15-4-6)17-8-7(11)5-13-9(12-2)16-8/h3-5H,1-2H3,(H,12,13,16)
InChIKeyUDKDMEPUSHSHSR-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.91
Rot. Bonds3

About 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80891890) has the molecular formula C10H10FN5S and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80891890
Molecular FormulaC10H10FN5S
Molecular Weight251.29 g/mol
Exact Mass251.06
IUPAC Name5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncc(C)cn2)n1
InChIInChI=1S/C10H10FN5S/c1-6-3-14-10(15-4-6)17-8-7(11)5-13-9(12-2)16-8/h3-5H,1-2H3,(H,12,13,16)
InChIKeyUDKDMEPUSHSHSR-UHFFFAOYSA-N
XLogP1.91
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-5-{[(5-methyl-2-pyrimidinyl)thio]methyl}-4-pyrimidinamine
CID 1251567
5-Methyl-2,4-bis(methylthio)pyrimidine
CID 11401210
N-ethyl-4-ethylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165148
N'-[[2-(1,1-difluoroethylsulfanyl)pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 70251383
2-Chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine;4-chloro-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 159596850
5-Fluoro-4-methylsulfanyl-2-piperazin-1-ylpyrimidine
CID 11775950
4-Tert-butylsulfanyl-2-chloro-5-fluoropyrimidine
CID 79075264
2-Chloro-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidine
CID 79075486
2-Chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine
CID 79076829
4-butylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80883892
4-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80884230
4-Butylsulfanyl-5-fluoropyrimidin-2-amine
CID 80884234

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 80891890) is 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is CNc1ncc(F)c(Sc2ncc(C)cn2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is UDKDMEPUSHSHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5S/c1-6-3-14-10(15-4-6)17-8-7(11)5-13-9(12-2)16-8/h3-5H,1-2H3,(H,12,13,16).
What are the key properties of 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80891890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).