(6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C14H17N3S2 — CID 81323691

IUPAC(6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCc1nccc(CNC2C[C@H](C)Sc3sccc32)n1
InChIInChI=1S/C14H17N3S2/c1-9-7-13(12-4-6-18-14(12)19-9)16-8-11-3-5-15-10(2)17-11/h3-6,9,13,16H,7-8H2,1-2H3/t9-,13?/m0/s1
InChIKeyLLFUXJRJZKDBBJ-LLTODGECSA-N
MW291.45 g/mol
LogP3.56
Rot. Bonds3

About (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81323691) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81323691
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name(6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCc1nccc(CNC2C[C@H](C)Sc3sccc32)n1
InChIInChI=1S/C14H17N3S2/c1-9-7-13(12-4-6-18-14(12)19-9)16-8-11-3-5-15-10(2)17-11/h3-6,9,13,16H,7-8H2,1-2H3/t9-,13?/m0/s1
InChIKeyLLFUXJRJZKDBBJ-LLTODGECSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81323691) is (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is Cc1nccc(CNC2C[C@H](C)Sc3sccc32)n1.
What is the InChIKey of (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is LLFUXJRJZKDBBJ-LLTODGECSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-9-7-13(12-4-6-18-14(12)19-9)16-8-11-3-5-15-10(2)17-11/h3-6,9,13,16H,7-8H2,1-2H3/t9-,13?/m0/s1.
What are the key properties of (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 291.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81323691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).