[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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Related Compounds

[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 167622259
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
CID 112750686
[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol
CID 103325518
[1-[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640694
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
CID 90958967
[1-[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80777418
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122562447
N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
CID 62585668
[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanol
CID 61410760
[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517

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).