5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C22H22N6O3S2 — CID 69284468

IUPAC5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCN(CCO)CC(=O)Nc1cccc(-c2nc(-c3cccs3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C22H22N6O3S2/c1-28(7-8-29)11-15(30)25-13-5-2-4-12(10-13)18-16-17(23)19(20(24)31)33-22(16)27-21(26-18)14-6-3-9-32-14/h2-6,9-10,29H,7-8,11,23H2,1H3,(H2,24,31)(H,25,30)
InChIKeySKZXAZGVMFHMDD-UHFFFAOYSA-N
MW482.59 g/mol
LogP2.63
Rot. Bonds8

About 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 69284468) has the molecular formula C22H22N6O3S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID69284468
Molecular FormulaC22H22N6O3S2
Molecular Weight482.59 g/mol
Exact Mass482.12
IUPAC Name5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCN(CCO)CC(=O)Nc1cccc(-c2nc(-c3cccs3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C22H22N6O3S2/c1-28(7-8-29)11-15(30)25-13-5-2-4-12(10-13)18-16-17(23)19(20(24)31)33-22(16)27-21(26-18)14-6-3-9-32-14/h2-6,9-10,29H,7-8,11,23H2,1H3,(H2,24,31)(H,25,30)
InChIKeySKZXAZGVMFHMDD-UHFFFAOYSA-N
XLogP2.63
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

5-amino-N-tert-butyl-2-(methylthio)-4-(3-(2-oxo-2-(prop-2-ynylamino)ethylamino)phenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 53322111
5-Amino-2-(cyclopropylamino)-4-{3-[(phenylamino)carbonylamino]phenyl}thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57390780
5-Amino-2-(cyclopropylamino)-4-(3-{[(4-methylphenyl)amino]carbonylamino}phenyl)thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57397875
5-Amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 57403037
4-(3-Acetamidophenyl)-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57390779
5-Amino-4-(3-aminophenyl)-2-(cyclopropylamino)thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57399561
5-Amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 57403036
5-Amino-2-methylsulfanyl-4-(3-(2-morpholin-4-ylacetylamino)phenyl)thieno(2,3-d)pyrimidine-6-carboxylic acid tert-butylamide
CID 9914457
[2-(benzylamino)thieno[3,2-d]pyrimidin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 137538760
5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 863105
2,4,5-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17542397
5-amino-N-(4-iodophenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 155513944

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 69284468) is 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is CN(CCO)CC(=O)Nc1cccc(-c2nc(-c3cccs3)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SKZXAZGVMFHMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S2/c1-28(7-8-29)11-15(30)25-13-5-2-4-12(10-13)18-16-17(23)19(20(24)31)33-22(16)27-21(26-18)14-6-3-9-32-14/h2-6,9-10,29H,7-8,11,23H2,1H3,(H2,24,31)(H,25,30).
What are the key properties of 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 2.63, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 69284468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).