N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C20H25N5O2S — CID 26396838

IUPACN-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCN(C(=O)c1sc2ncnc(NCc3ccccn3)c2c1C)C(C)C
InChIInChI=1S/C20H25N5O2S/c1-13(2)25(9-10-27-4)20(26)17-14(3)16-18(23-12-24-19(16)28-17)22-11-15-7-5-6-8-21-15/h5-8,12-13H,9-11H2,1-4H3,(H,22,23,24)
InChIKeyMIRDMCHVCVZCST-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.50
Rot. Bonds8

About N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26396838) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26396838
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCN(C(=O)c1sc2ncnc(NCc3ccccn3)c2c1C)C(C)C
InChIInChI=1S/C20H25N5O2S/c1-13(2)25(9-10-27-4)20(26)17-14(3)16-18(23-12-24-19(16)28-17)22-11-15-7-5-6-8-21-15/h5-8,12-13H,9-11H2,1-4H3,(H,22,23,24)
InChIKeyMIRDMCHVCVZCST-UHFFFAOYSA-N
XLogP3.50
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 3507448
N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26279359
N,5-dimethyl-4-(pyridin-2-ylmethylamino)-N-(1-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45227243
4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26399311
5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26361552
4-(ethylamino)-N-(2-methoxyethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42319443
N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25293666
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25290052
N-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42398959
4-[2-(3-methoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26348147
N-(2-hydroxybutyl)-5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45185176
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 26396838) is N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is COCCN(C(=O)c1sc2ncnc(NCc3ccccn3)c2c1C)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MIRDMCHVCVZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-13(2)25(9-10-27-4)20(26)17-14(3)16-18(23-12-24-19(16)28-17)22-11-15-7-5-6-8-21-15/h5-8,12-13H,9-11H2,1-4H3,(H,22,23,24).
What are the key properties of N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26396838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).