N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C21H25N7O3S — CID 135240038

IUPACN-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(Nc2ncnc3sc(C(=O)NCCN(C)C)cc23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C21H25N7O3S/c1-11-8-13(20(31)28-15(11)18(30)26-21(28,2)3)25-16-12-9-14(32-19(12)24-10-23-16)17(29)22-6-7-27(4)5/h8-10H,6-7H2,1-5H3,(H,22,29)(H,26,30)(H,23,24,25)
InChIKeyWGRQDJRAUREYAY-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 135240038) has the molecular formula C21H25N7O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID135240038
Molecular FormulaC21H25N7O3S
Molecular Weight455.54 g/mol
Exact Mass455.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(Nc2ncnc3sc(C(=O)NCCN(C)C)cc23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C21H25N7O3S/c1-11-8-13(20(31)28-15(11)18(30)26-21(28,2)3)25-16-12-9-14(32-19(12)24-10-23-16)17(29)22-6-7-27(4)5/h8-10H,6-7H2,1-5H3,(H,22,29)(H,26,30)(H,23,24,25)
InChIKeyWGRQDJRAUREYAY-UHFFFAOYSA-N
XLogP1.63
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 135240038) is N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(Nc2ncnc3sc(C(=O)NCCN(C)C)cc23)c(=O)n2c1C(=O)NC2(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WGRQDJRAUREYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3S/c1-11-8-13(20(31)28-15(11)18(30)26-21(28,2)3)25-16-12-9-14(32-19(12)24-10-23-16)17(29)22-6-7-27(4)5/h8-10H,6-7H2,1-5H3,(H,22,29)(H,26,30)(H,23,24,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135240038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).