5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C14H16N6OS — CID 164630054

IUPAC5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCc3nc([C@@H]4CCCO4)n[nH]3)c12
InChIInChI=1S/C14H16N6OS/c1-8-6-22-14-11(8)13(16-7-17-14)15-5-10-18-12(20-19-10)9-3-2-4-21-9/h6-7,9H,2-5H2,1H3,(H,15,16,17)(H,18,19,20)/t9-/m0/s1
InChIKeyYNLCPJIHVWFPDS-VIFPVBQESA-N
MW316.39 g/mol
LogP2.58
Rot. Bonds4

About 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 164630054) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID164630054
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCc3nc([C@@H]4CCCO4)n[nH]3)c12
InChIInChI=1S/C14H16N6OS/c1-8-6-22-14-11(8)13(16-7-17-14)15-5-10-18-12(20-19-10)9-3-2-4-21-9/h6-7,9H,2-5H2,1H3,(H,15,16,17)(H,18,19,20)/t9-/m0/s1
InChIKeyYNLCPJIHVWFPDS-VIFPVBQESA-N
XLogP2.58
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 164630054) is 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(NCc3nc([C@@H]4CCCO4)n[nH]3)c12.
What is the InChIKey of 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YNLCPJIHVWFPDS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N6OS/c1-8-6-22-14-11(8)13(16-7-17-14)15-5-10-18-12(20-19-10)9-3-2-4-21-9/h6-7,9H,2-5H2,1H3,(H,15,16,17)(H,18,19,20)/t9-/m0/s1.
What are the key properties of 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 316.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164630054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).