(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

C12H13N3OS2 — CID 7889375

IUPAC(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ncnc2sccc12)C(=O)NC1CC1
InChIInChI=1S/C12H13N3OS2/c1-7(10(16)15-8-2-3-8)18-12-9-4-5-17-11(9)13-6-14-12/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyGIFCEULHYRZQNJ-SSDOTTSWSA-N
MW279.39 g/mol
LogP2.45
Rot. Bonds4

About (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 7889375) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID7889375
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ncnc2sccc12)C(=O)NC1CC1
InChIInChI=1S/C12H13N3OS2/c1-7(10(16)15-8-2-3-8)18-12-9-4-5-17-11(9)13-6-14-12/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyGIFCEULHYRZQNJ-SSDOTTSWSA-N
XLogP2.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889406
(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 40764470
N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123984
(2S)-N-(2-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 2633299
(2R)-N-(1,3-benzodioxol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889298
(2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889368
(2R)-N-cyclopentyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7558284
N-cyclopropyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide
CID 78762956
2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine
CID 82146821
(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 7889332
(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 7889429
(2S)-N-(4-fluoro-3-nitrophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889386

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide (CID 7889375) is (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide is C[C@@H](Sc1ncnc2sccc12)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is GIFCEULHYRZQNJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-7(10(16)15-8-2-3-8)18-12-9-4-5-17-11(9)13-6-14-12/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 7889375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).