N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C22H26N4O3S — CID 55461644

IUPACN-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3CCN(Cc4ccccc4)C3)sc2n1
InChIInChI=1S/C22H26N4O3S/c1-14-18-21(29-3)24-17(13-28-2)25-22(18)30-19(14)20(27)23-16-9-10-26(12-16)11-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3,(H,23,27)
InChIKeyNFMCGJLNCQGALK-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.16
Rot. Bonds7

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

N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55461644) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55461644
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3CCN(Cc4ccccc4)C3)sc2n1
InChIInChI=1S/C22H26N4O3S/c1-14-18-21(29-3)24-17(13-28-2)25-22(18)30-19(14)20(27)23-16-9-10-26(12-16)11-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3,(H,23,27)
InChIKeyNFMCGJLNCQGALK-UHFFFAOYSA-N
XLogP3.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[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

Related Compounds

4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55844007
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56569085
N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 86921687
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55452613
4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55970647
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55853752
N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55635921
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
N-(3-indol-1-ylpropyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134061820
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541226
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15999563

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55461644) is N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NC3CCN(Cc4ccccc4)C3)sc2n1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NFMCGJLNCQGALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14-18-21(29-3)24-17(13-28-2)25-22(18)30-19(14)20(27)23-16-9-10-26(12-16)11-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3,(H,23,27).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55461644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).