N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine

C10H12FN5S — CID 80887853

IUPACN-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nccn2C)n1
InChIInChI=1S/C10H12FN5S/c1-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16(10)2/h4-6H,3H2,1-2H3,(H,12,14,15)
InChIKeyOEQSYGBKLBSDCE-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80887853) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80887853
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC NameN-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nccn2C)n1
InChIInChI=1S/C10H12FN5S/c1-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16(10)2/h4-6H,3H2,1-2H3,(H,12,14,15)
InChIKeyOEQSYGBKLBSDCE-UHFFFAOYSA-N
XLogP1.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~4~-methyl-N~2~-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}pyrimidine-2,4-diamine
CID 50950039
N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72887542
5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
CID 75483060
5-Fluoro-4-methylsulfanyl-2-piperazin-1-ylpyrimidine
CID 11775950
2-Chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
CID 79075592
5-fluoro-4-N-(3-imidazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 80753523
5-fluoro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753849
2-N-ethyl-5-fluoro-4-N-(3-imidazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 80753851
5-fluoro-4-N-(3-imidazol-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80753931
5-fluoro-4-N-(4-imidazol-1-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80794353
5-fluoro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80800638
5-fluoro-4-N-(1-imidazol-1-ylpropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80802288

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine (CID 80887853) is N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2nccn2C)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is OEQSYGBKLBSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16(10)2/h4-6H,3H2,1-2H3,(H,12,14,15).
What are the key properties of N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).