4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine

C21H32N4OS — CID 174731771

IUPAC4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine
SMILESCCOC(C1CCN(c2ncnc3sc(C)c(CC)c23)CC1)N1CCCC1
InChIInChI=1S/C21H32N4OS/c1-4-17-15(3)27-20-18(17)19(22-14-23-20)24-12-8-16(9-13-24)21(26-5-2)25-10-6-7-11-25/h14,16,21H,4-13H2,1-3H3
InChIKeyKJJAHRPKUZQHLR-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.24
Rot. Bonds6

About 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine

4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine (PubChem CID 174731771) has the molecular formula C21H32N4OS and a molecular weight of 388.58 g/mol. Its IUPAC name is 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine
PubChem CID174731771
Molecular FormulaC21H32N4OS
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Name4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine
SMILESCCOC(C1CCN(c2ncnc3sc(C)c(CC)c23)CC1)N1CCCC1
InChIInChI=1S/C21H32N4OS/c1-4-17-15(3)27-20-18(17)19(22-14-23-20)24-12-8-16(9-13-24)21(26-5-2)25-10-6-7-11-25/h14,16,21H,4-13H2,1-3H3
InChIKeyKJJAHRPKUZQHLR-UHFFFAOYSA-N
XLogP4.24
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 157472298
2-[1-cyclohexyl-4-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 56917317
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599
1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134710748
[(3S)-2-oxooxolan-3-yl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 7561294
[2-(dimethylamino)-2-oxoethyl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 8606773
4-(azepan-1-yl)-N-(2-ethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847391
(2-oxo-2-pyrrolidin-1-ylethyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 8606723
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55395860
N-[(4-ethylphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847326

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine (CID 174731771) is 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine is CCOC(C1CCN(c2ncnc3sc(C)c(CC)c23)CC1)N1CCCC1.
What is the InChIKey of 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is KJJAHRPKUZQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4OS/c1-4-17-15(3)27-20-18(17)19(22-14-23-20)24-12-8-16(9-13-24)21(26-5-2)25-10-6-7-11-25/h14,16,21H,4-13H2,1-3H3.
What are the key properties of 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine?
4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 388.58 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 174731771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).