N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C22H28N4O3S — CID 25293666

IUPACN-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CCNc2ncnc3sc(C(=O)N(CCO)C(C)C)c(C)c23)c1
InChIInChI=1S/C22H28N4O3S/c1-14(2)26(10-11-27)22(28)19-15(3)18-20(24-13-25-21(18)30-19)23-9-8-16-6-5-7-17(12-16)29-4/h5-7,12-14,27H,8-11H2,1-4H3,(H,23,24,25)
InChIKeyQFINEDQLBUVSBS-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.51
Rot. Bonds9

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

N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 25293666) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID25293666
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CCNc2ncnc3sc(C(=O)N(CCO)C(C)C)c(C)c23)c1
InChIInChI=1S/C22H28N4O3S/c1-14(2)26(10-11-27)22(28)19-15(3)18-20(24-13-25-21(18)30-19)23-9-8-16-6-5-7-17(12-16)29-4/h5-7,12-14,27H,8-11H2,1-4H3,(H,23,24,25)
InChIKeyQFINEDQLBUVSBS-UHFFFAOYSA-N
XLogP3.51
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26279359
4-[2-(3-methoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26348147
4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42541545
4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26399311
[4-(2-methoxyethyl)piperazin-1-yl]-[4-[2-(3-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 29219263
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42248244
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26396838
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333
4-[(3-methoxyphenyl)methylamino]-N,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26318634
4-[(3-methoxyphenyl)methylamino]-5-methyl-N-[(3R)-oxolan-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42398144
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[(3-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 42397531

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 25293666) is N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(CCNc2ncnc3sc(C(=O)N(CCO)C(C)C)c(C)c23)c1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QFINEDQLBUVSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-14(2)26(10-11-27)22(28)19-15(3)18-20(24-13-25-21(18)30-19)23-9-8-16-6-5-7-17(12-16)29-4/h5-7,12-14,27H,8-11H2,1-4H3,(H,23,24,25).
What are the key properties of N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 25293666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).