(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol

C13H17N3OS — CID 97132639

IUPAC(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
SMILESCC1(C)CN(c2ncnc3sccc23)C[C@]1(C)O
InChIInChI=1S/C13H17N3OS/c1-12(2)6-16(7-13(12,3)17)10-9-4-5-18-11(9)15-8-14-10/h4-5,8,17H,6-7H2,1-3H3/t13-/m0/s1
InChIKeyRVEUVDQQQJQRRD-ZDUSSCGKSA-N
MW263.37 g/mol
LogP2.29
Rot. Bonds1

About (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol

(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol (PubChem CID 97132639) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
PubChem CID97132639
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
SMILESCC1(C)CN(c2ncnc3sccc23)C[C@]1(C)O
InChIInChI=1S/C13H17N3OS/c1-12(2)6-16(7-13(12,3)17)10-9-4-5-18-11(9)15-8-14-10/h4-5,8,17H,6-7H2,1-3H3/t13-/m0/s1
InChIKeyRVEUVDQQQJQRRD-ZDUSSCGKSA-N
XLogP2.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 103725139
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
N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide
CID 166602336
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
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
CID 63309935
2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
CID 171995839
4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 171994938
2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
CID 64616447

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol (CID 97132639) is (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol is CC1(C)CN(c2ncnc3sccc23)C[C@]1(C)O.
What is the InChIKey of (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol?
The InChIKey is RVEUVDQQQJQRRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-12(2)6-16(7-13(12,3)17)10-9-4-5-18-11(9)15-8-14-10/h4-5,8,17H,6-7H2,1-3H3/t13-/m0/s1.
What are the key properties of (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol?
(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol has a molecular weight of 263.37 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 97132639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).