5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide

C15H15N5O2S2 — CID 69237646

IUPAC5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1cncc(-c2nc(SC)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C15H15N5O2S2/c1-3-22-8-4-7(5-18-6-8)11-9-10(16)12(13(17)21)24-14(9)20-15(19-11)23-2/h4-6H,3,16H2,1-2H3,(H2,17,21)
InChIKeyFOSBAWYDGCVFLU-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.56
Rot. Bonds5

About 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 69237646) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID69237646
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1cncc(-c2nc(SC)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C15H15N5O2S2/c1-3-22-8-4-7(5-18-6-8)11-9-10(16)12(13(17)21)24-14(9)20-15(19-11)23-2/h4-6H,3,16H2,1-2H3,(H2,17,21)
InChIKeyFOSBAWYDGCVFLU-UHFFFAOYSA-N
XLogP2.56
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-4-[3-(3,6-dihydro-2H-pyridin-1-ylmethoxy)phenyl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 174397532
ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3440881
ethyl 4-[3-(2-acetyloxyethoxy)phenyl]-5-amino-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate
CID 22597653
5-amino-4-[3-(benzylsulfonylamino)phenyl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 69041314
5-amino-N-butyl-4-(3-hydroxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 139934869
1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647073
cyclohexyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 22597600
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123
5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513310
5-amino-4-(3,4-dichlorophenyl)-2-(3-methoxypropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647118
2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 90984701
5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 106520657

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (CID 69237646) is 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is CCOc1cncc(-c2nc(SC)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FOSBAWYDGCVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-3-22-8-4-7(5-18-6-8)11-9-10(16)12(13(17)21)24-14(9)20-15(19-11)23-2/h4-6H,3,16H2,1-2H3,(H2,17,21).
What are the key properties of 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 69237646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).