[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C12H16N4OS — CID 112750454

IUPAC[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1nc(N2CCCC2CO)c2sccc2n1
InChIInChI=1S/C12H16N4OS/c1-13-12-14-9-4-6-18-10(9)11(15-12)16-5-2-3-8(16)7-17/h4,6,8,17H,2-3,5,7H2,1H3,(H,13,14,15)
InChIKeyOOBDZDXDIALDTF-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.69
Rot. Bonds3

About [1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 112750454) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID112750454
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1nc(N2CCCC2CO)c2sccc2n1
InChIInChI=1S/C12H16N4OS/c1-13-12-14-9-4-6-18-10(9)11(15-12)16-5-2-3-8(16)7-17/h4,6,8,17H,2-3,5,7H2,1H3,(H,13,14,15)
InChIKeyOOBDZDXDIALDTF-UHFFFAOYSA-N
XLogP1.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
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-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 112750454) is [1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CNc1nc(N2CCCC2CO)c2sccc2n1.
What is the InChIKey of [1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is OOBDZDXDIALDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-13-12-14-9-4-6-18-10(9)11(15-12)16-5-2-3-8(16)7-17/h4,6,8,17H,2-3,5,7H2,1H3,(H,13,14,15).
What are the key properties of [1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 264.35 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-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 112750454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).