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

C21H21N5OS2 — CID 42247445

IUPAC5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2ccncc2)sc2ncnc(N[C@H](C)c3cccs3)c12
InChIInChI=1S/C21H21N5OS2/c1-13-17-19(26-14(2)16-4-3-11-28-16)24-12-25-21(17)29-18(13)20(27)23-10-7-15-5-8-22-9-6-15/h3-6,8-9,11-12,14H,7,10H2,1-2H3,(H,23,27)(H,24,25,26)/t14-/m1/s1
InChIKeyQFSLGLFPTBMJOB-CQSZACIVSA-N
MW423.57 g/mol
LogP4.60
Rot. Bonds7

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

5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42247445) has the molecular formula C21H21N5OS2 and a molecular weight of 423.57 g/mol. Its IUPAC name is 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42247445
Molecular FormulaC21H21N5OS2
Molecular Weight423.57 g/mol
Exact Mass423.12
IUPAC Name5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2ccncc2)sc2ncnc(N[C@H](C)c3cccs3)c12
InChIInChI=1S/C21H21N5OS2/c1-13-17-19(26-14(2)16-4-3-11-28-16)24-12-25-21(17)29-18(13)20(27)23-10-7-15-5-8-22-9-6-15/h3-6,8-9,11-12,14H,7,10H2,1-2H3,(H,23,27)(H,24,25,26)/t14-/m1/s1
InChIKeyQFSLGLFPTBMJOB-CQSZACIVSA-N
XLogP4.60
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45198809
N-(2-acetamidoethyl)-5-methyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26334572
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
4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26276087
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
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
5-methyl-4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344725
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
[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 45246478

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 42247445) is 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCc2ccncc2)sc2ncnc(N[C@H](C)c3cccs3)c12.
What is the InChIKey of 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QFSLGLFPTBMJOB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N5OS2/c1-13-17-19(26-14(2)16-4-3-11-28-16)24-12-25-21(17)29-18(13)20(27)23-10-7-15-5-8-22-9-6-15/h3-6,8-9,11-12,14H,7,10H2,1-2H3,(H,23,27)(H,24,25,26)/t14-/m1/s1.
What are the key properties of 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 423.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42247445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).