3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol

C11H13N3OS — CID 103725139

IUPAC3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ncnc3sccc23)C1
InChIInChI=1S/C11H13N3OS/c1-11(15)3-4-14(6-11)9-8-2-5-16-10(8)13-7-12-9/h2,5,7,15H,3-4,6H2,1H3
InChIKeyHVWZFCZABSBQTB-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.65
Rot. Bonds1

About 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol

3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol (PubChem CID 103725139) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
PubChem CID103725139
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ncnc3sccc23)C1
InChIInChI=1S/C11H13N3OS/c1-11(15)3-4-14(6-11)9-8-2-5-16-10(8)13-7-12-9/h2,5,7,15H,3-4,6H2,1H3
InChIKeyHVWZFCZABSBQTB-UHFFFAOYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 97132639
3-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 167976709
2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097789
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
(3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol
CID 163307342
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
(3R)-3-methyl-1-(5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126704475
4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
CID 9113696
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol (CID 103725139) is 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol is CC1(O)CCN(c2ncnc3sccc23)C1.
What is the InChIKey of 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol?
The InChIKey is HVWZFCZABSBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-11(15)3-4-14(6-11)9-8-2-5-16-10(8)13-7-12-9/h2,5,7,15H,3-4,6H2,1H3.
What are the key properties of 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol?
3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol has a molecular weight of 235.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 103725139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).