(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile

C12H13N3S2 — CID 2470719

IUPAC(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
SMILESCc1nc(S[C@H](C)C#N)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H13N3S2/c1-6(5-13)16-11-10-7(2)8(3)17-12(10)15-9(4)14-11/h6H,1-4H3/t6-/m1/s1
InChIKeyKGRYDEZXZQJQFN-ZCFIWIBFSA-N
MW263.39 g/mol
LogP3.62
Rot. Bonds2

About (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile

(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile (PubChem CID 2470719) has the molecular formula C12H13N3S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
PubChem CID2470719
Molecular FormulaC12H13N3S2
Molecular Weight263.39 g/mol
Exact Mass263.06
IUPAC Name(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
SMILESCc1nc(S[C@H](C)C#N)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H13N3S2/c1-6(5-13)16-11-10-7(2)8(3)17-12(10)15-9(4)14-11/h6H,1-4H3/t6-/m1/s1
InChIKeyKGRYDEZXZQJQFN-ZCFIWIBFSA-N
XLogP3.62
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
CID 8952049
N,N-dimethyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 51209452
methyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate
CID 18775686
(2R)-N-(2-cyanoethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 8952280
N-propan-2-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 51184317
(2R)-N-carbamoyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7680480
(2S)-1-pyrrolidin-1-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 7362694
(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 8952256
2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 8954336
2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
CID 40895118
(2S)-N-(2-cyanoethyl)-N-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7680519
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile?
The IUPAC name of (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile (CID 2470719) is (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile.
What is the SMILES notation for (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile?
The canonical SMILES for (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile is Cc1nc(S[C@H](C)C#N)c2c(C)c(C)sc2n1.
What is the InChIKey of (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile?
The InChIKey is KGRYDEZXZQJQFN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H13N3S2/c1-6(5-13)16-11-10-7(2)8(3)17-12(10)15-9(4)14-11/h6H,1-4H3/t6-/m1/s1.
What are the key properties of (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile?
(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile has a molecular weight of 263.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile is sourced from PubChem (CID 2470719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).