1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol

C13H18N4OS — CID 62208262

IUPAC1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
SMILESCNc1nc(CN2CCCC(O)C2)nc2sccc12
InChIInChI=1S/C13H18N4OS/c1-14-12-10-4-6-19-13(10)16-11(15-12)8-17-5-2-3-9(18)7-17/h4,6,9,18H,2-3,5,7-8H2,1H3,(H,14,15,16)
InChIKeyPQZPMILZKJSWNZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.69
Rot. Bonds3

About 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol

1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol (PubChem CID 62208262) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
PubChem CID62208262
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
SMILESCNc1nc(CN2CCCC(O)C2)nc2sccc12
InChIInChI=1S/C13H18N4OS/c1-14-12-10-4-6-19-13(10)16-11(15-12)8-17-5-2-3-9(18)7-17/h4,6,9,18H,2-3,5,7-8H2,1H3,(H,14,15,16)
InChIKeyPQZPMILZKJSWNZ-UHFFFAOYSA-N
XLogP1.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol (CID 62208262) is 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol is CNc1nc(CN2CCCC(O)C2)nc2sccc12.
What is the InChIKey of 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol?
The InChIKey is PQZPMILZKJSWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-14-12-10-4-6-19-13(10)16-11(15-12)8-17-5-2-3-9(18)7-17/h4,6,9,18H,2-3,5,7-8H2,1H3,(H,14,15,16).
What are the key properties of 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol?
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol has a molecular weight of 278.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 62208262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).