4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide

C20H29N5O2S — CID 133314294

IUPAC4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide
SMILESCc1sc2nc(CN3CCCC3)nc(NCC3(C(N)=O)CCOCC3)c2c1C
InChIInChI=1S/C20H29N5O2S/c1-13-14(2)28-18-16(13)17(23-15(24-18)11-25-7-3-4-8-25)22-12-20(19(21)26)5-9-27-10-6-20/h3-12H2,1-2H3,(H2,21,26)(H,22,23,24)
InChIKeyBCYCYUJKNSGPSD-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.60
Rot. Bonds6

About 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide

4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide (PubChem CID 133314294) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide
PubChem CID133314294
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC Name4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide
SMILESCc1sc2nc(CN3CCCC3)nc(NCC3(C(N)=O)CCOCC3)c2c1C
InChIInChI=1S/C20H29N5O2S/c1-13-14(2)28-18-16(13)17(23-15(24-18)11-25-7-3-4-8-25)22-12-20(19(21)26)5-9-27-10-6-20/h3-12H2,1-2H3,(H2,21,26)(H,22,23,24)
InChIKeyBCYCYUJKNSGPSD-UHFFFAOYSA-N
XLogP2.60
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-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

5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18083464
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133271867
1-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353191
N-(2-tert-butylsulfanylethyl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133275941
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55521447
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide
CID 133288002
trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 133495355
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
5,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133377704

Frequently Asked Questions

What is the IUPAC name of 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide (CID 133314294) is 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide is Cc1sc2nc(CN3CCCC3)nc(NCC3(C(N)=O)CCOCC3)c2c1C.
What is the InChIKey of 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide?
The InChIKey is BCYCYUJKNSGPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-13-14(2)28-18-16(13)17(23-15(24-18)11-25-7-3-4-8-25)22-12-20(19(21)26)5-9-27-10-6-20/h3-12H2,1-2H3,(H2,21,26)(H,22,23,24).
What are the key properties of 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide?
4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 133314294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).