4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine

C12H13FN4S — CID 80764971

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H13FN4S/c1-14-12-15-6-9(13)11(16-12)17-4-2-10-8(7-17)3-5-18-10/h3,5-6H,2,4,7H2,1H3,(H,14,15,16)
InChIKeyWVPRJLWFPIMGTG-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.28
Rot. Bonds2

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80764971) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80764971
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H13FN4S/c1-14-12-15-6-9(13)11(16-12)17-4-2-10-8(7-17)3-5-18-10/h3,5-6H,2,4,7H2,1H3,(H,14,15,16)
InChIKeyWVPRJLWFPIMGTG-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80764971) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(N2CCc3sccc3C2)n1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is WVPRJLWFPIMGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c1-14-12-15-6-9(13)11(16-12)17-4-2-10-8(7-17)3-5-18-10/h3,5-6H,2,4,7H2,1H3,(H,14,15,16).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80764971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).