N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C19H26N4O4S — CID 71909813

IUPACN-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)CC3CCN(C(C)=O)C3)sc2n1
InChIInChI=1S/C19H26N4O4S/c1-11-15-17(27-5)20-14(10-26-4)21-18(15)28-16(11)19(25)22(3)8-13-6-7-23(9-13)12(2)24/h13H,6-10H2,1-5H3
InChIKeyFTJVKLOXRXZBJE-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.10
Rot. Bonds6

About N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 71909813) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID71909813
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)CC3CCN(C(C)=O)C3)sc2n1
InChIInChI=1S/C19H26N4O4S/c1-11-15-17(27-5)20-14(10-26-4)21-18(15)28-16(11)19(25)22(3)8-13-6-7-23(9-13)12(2)24/h13H,6-10H2,1-5H3
InChIKeyFTJVKLOXRXZBJE-UHFFFAOYSA-N
XLogP2.10
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 71909813) is N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)N(C)CC3CCN(C(C)=O)C3)sc2n1.
What is the InChIKey of N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FTJVKLOXRXZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-11-15-17(27-5)20-14(10-26-4)21-18(15)28-16(11)19(25)22(3)8-13-6-7-23(9-13)12(2)24/h13H,6-10H2,1-5H3.
What are the key properties of N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71909813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).