4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C22H24N4O2S2 — CID 26399311

IUPAC4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(CCO)C(C)C)sc2ncnc(NCc3cc4ccccc4s3)c12
InChIInChI=1S/C22H24N4O2S2/c1-13(2)26(8-9-27)22(28)19-14(3)18-20(24-12-25-21(18)30-19)23-11-16-10-15-6-4-5-7-17(15)29-16/h4-7,10,12-13,27H,8-9,11H2,1-3H3,(H,23,24,25)
InChIKeyXHJOEYMUDXSILI-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.67
Rot. Bonds7

About 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26399311) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26399311
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC Name4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(CCO)C(C)C)sc2ncnc(NCc3cc4ccccc4s3)c12
InChIInChI=1S/C22H24N4O2S2/c1-13(2)26(8-9-27)22(28)19-14(3)18-20(24-12-25-21(18)30-19)23-11-16-10-15-6-4-5-7-17(15)29-16/h4-7,10,12-13,27H,8-9,11H2,1-3H3,(H,23,24,25)
InChIKeyXHJOEYMUDXSILI-UHFFFAOYSA-N
XLogP4.67
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42471704
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25290052
N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26279359
4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 45243788
N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25293666
N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26396838
N,N-diethyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56918848
N,5-dimethyl-4-(pyridin-2-ylmethylamino)-N-(1-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45227243
N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42368938
N-benzyl-N-(2-hydroxyethyl)-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26274263
N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42472593
ethyl 5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 3507448

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 26399311) is 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(CCO)C(C)C)sc2ncnc(NCc3cc4ccccc4s3)c12.
What is the InChIKey of 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XHJOEYMUDXSILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-13(2)26(8-9-27)22(28)19-14(3)18-20(24-12-25-21(18)30-19)23-11-16-10-15-6-4-5-7-17(15)29-16/h4-7,10,12-13,27H,8-9,11H2,1-3H3,(H,23,24,25).
What are the key properties of 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26399311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).