N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C21H25N5O3S — CID 20970494

IUPACN,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCNC(=O)Cn1cnc2sc(C(=O)N(C)CCc3ccccn3)c(C)c2c1=O
InChIInChI=1S/C21H25N5O3S/c1-4-9-23-16(27)12-26-13-24-19-17(20(26)28)14(2)18(30-19)21(29)25(3)11-8-15-7-5-6-10-22-15/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H,23,27)
InChIKeyNKQNTWGBUNPIGP-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.00
Rot. Bonds8

About N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 20970494) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID20970494
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCNC(=O)Cn1cnc2sc(C(=O)N(C)CCc3ccccn3)c(C)c2c1=O
InChIInChI=1S/C21H25N5O3S/c1-4-9-23-16(27)12-26-13-24-19-17(20(26)28)14(2)18(30-19)21(29)25(3)11-8-15-7-5-6-10-22-15/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H,23,27)
InChIKeyNKQNTWGBUNPIGP-UHFFFAOYSA-N
XLogP2.00
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23410645
methyl 2-[[5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate
CID 5205869
N-butyl-3-[(2-fluorophenyl)methyl]-N,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4518307
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4049747
propan-2-yl 3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 2076457
N-(2-aminoethyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39161648
5-methyl-N-(2-methylphenyl)-4-oxo-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 39071576
[2-oxo-2-(propylamino)ethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7905002
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 17442147
3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55894125
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R,2S,3R,4R)-3-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]-4-phenoxycyclopentyl]acetamide
CID 110164076
N-benzyl-N,5-dimethyl-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23793202

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 20970494) is N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is CCCNC(=O)Cn1cnc2sc(C(=O)N(C)CCc3ccccn3)c(C)c2c1=O.
What is the InChIKey of N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NKQNTWGBUNPIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-4-9-23-16(27)12-26-13-24-19-17(20(26)28)14(2)18(30-19)21(29)25(3)11-8-15-7-5-6-10-22-15/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H,23,27).
What are the key properties of N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 20970494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).