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

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Related Compounds

4-Methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 9106586
N-(furan-2-ylmethyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2539175
Ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 60159800
Ethyl 4-(4-acetyl-1,4-diazepan-1-yl)-2-(2-ethoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 60159801
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 9120702
N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 17419911
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55450336
[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 55450649
[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 55450750
4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55450860
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55451068
[4-Methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55451155

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).