4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C15H22N4O2S2 — CID 42449732

IUPAC4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCCNc1ncnc2sc(C(=O)NCCSC)c(C)c12
InChIInChI=1S/C15H22N4O2S2/c1-10-11-13(16-5-4-7-21-2)18-9-19-15(11)23-12(10)14(20)17-6-8-22-3/h9H,4-8H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyGTSDHTVVKQJBSX-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.54
Rot. Bonds9

About 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42449732) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42449732
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC Name4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCCNc1ncnc2sc(C(=O)NCCSC)c(C)c12
InChIInChI=1S/C15H22N4O2S2/c1-10-11-13(16-5-4-7-21-2)18-9-19-15(11)23-12(10)14(20)17-6-8-22-3/h9H,4-8H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyGTSDHTVVKQJBSX-UHFFFAOYSA-N
XLogP2.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42436205
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 42397338
4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26276087
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26352818
methyl 3-[[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]propanoate
CID 26400112
methyl 4-(3-hydroxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28849922
4-(ethylamino)-N-(2-methoxyethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42319443
methyl 2-[[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
CID 26276847
N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26279359
N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42162402
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
N-(3-methoxypropyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4604042

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 42449732) is 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is COCCCNc1ncnc2sc(C(=O)NCCSC)c(C)c12.
What is the InChIKey of 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GTSDHTVVKQJBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-10-11-13(16-5-4-7-21-2)18-9-19-15(11)23-12(10)14(20)17-6-8-22-3/h9H,4-8H2,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42449732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).