N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine

C15H14FN3S2 — CID 103335231

IUPACN-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2cccc(F)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H14FN3S2/c1-3-17-15-18-13-12(7-9(2)20-13)14(19-15)21-11-6-4-5-10(16)8-11/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyXBSIFRGVLBKLFO-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.72
Rot. Bonds4

About N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine

N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335231) has the molecular formula C15H14FN3S2 and a molecular weight of 319.43 g/mol. Its IUPAC name is N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103335231
Molecular FormulaC15H14FN3S2
Molecular Weight319.43 g/mol
Exact Mass319.06
IUPAC NameN-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2cccc(F)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H14FN3S2/c1-3-17-15-18-13-12(7-9(2)20-13)14(19-15)21-11-6-4-5-10(16)8-11/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyXBSIFRGVLBKLFO-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103333961
4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334827
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103335001
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334889
3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 103334802
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232
4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334576
[4-(2,4-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336488
[4-(2,5-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336545
6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334621
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103335231) is N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Sc2cccc(F)c2)c2cc(C)sc2n1.
What is the InChIKey of N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is XBSIFRGVLBKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S2/c1-3-17-15-18-13-12(7-9(2)20-13)14(19-15)21-11-6-4-5-10(16)8-11/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 319.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).