5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C22H23N5OS2 — CID 45198809

IUPAC5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCCc2ccncc2)sc2ncnc(NC(C)c3cccs3)c12
InChIInChI=1S/C22H23N5OS2/c1-14-18-20(27-15(2)17-6-4-12-29-17)25-13-26-22(18)30-19(14)21(28)24-9-3-5-16-7-10-23-11-8-16/h4,6-8,10-13,15H,3,5,9H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyOLFCUFCHEVLCER-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.99
Rot. Bonds8

About 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45198809) has the molecular formula C22H23N5OS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45198809
Molecular FormulaC22H23N5OS2
Molecular Weight437.59 g/mol
Exact Mass437.13
IUPAC Name5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCCc2ccncc2)sc2ncnc(NC(C)c3cccs3)c12
InChIInChI=1S/C22H23N5OS2/c1-14-18-20(27-15(2)17-6-4-12-29-17)25-13-26-22(18)30-19(14)21(28)24-9-3-5-16-7-10-23-11-8-16/h4,6-8,10-13,15H,3,5,9H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyOLFCUFCHEVLCER-UHFFFAOYSA-N
XLogP4.99
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.99
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

5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42247445
N-(2-acetamidoethyl)-5-methyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26334572
4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26276087
4-(ethylamino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26340424
[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 45236570
N,5-dimethyl-4-(pyridin-2-ylmethylamino)-N-(1-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45227243
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 45246478
4-[[(2S)-1-methoxypropan-2-yl]amino]-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42538755
4-[[(2R)-1-methoxypropan-2-yl]amino]-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42538754
N-tert-butyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26357864

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45198809) is 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCCc2ccncc2)sc2ncnc(NC(C)c3cccs3)c12.
What is the InChIKey of 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OLFCUFCHEVLCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS2/c1-14-18-20(27-15(2)17-6-4-12-29-17)25-13-26-22(18)30-19(14)21(28)24-9-3-5-16-7-10-23-11-8-16/h4,6-8,10-13,15H,3,5,9H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45198809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).