2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine

C14H18ClN3OS — CID 103321138

IUPAC2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCCOC1CCCN(c2nc(Cl)nc3sc(C)cc23)C1
InChIInChI=1S/C14H18ClN3OS/c1-3-19-10-5-4-6-18(8-10)12-11-7-9(2)20-13(11)17-14(15)16-12/h7,10H,3-6,8H2,1-2H3
InChIKeyHKRKNPIBEGXENH-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine

2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 103321138) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID103321138
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCCOC1CCCN(c2nc(Cl)nc3sc(C)cc23)C1
InChIInChI=1S/C14H18ClN3OS/c1-3-19-10-5-4-6-18(8-10)12-11-7-9(2)20-13(11)17-14(15)16-12/h7,10H,3-6,8H2,1-2H3
InChIKeyHKRKNPIBEGXENH-UHFFFAOYSA-N
XLogP3.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 103321991
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322044
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
CID 103320672
2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321928
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321977
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562432
2-chloro-6-methyl-4-(2-propylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 103322314
[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692404
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840
4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133409285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine (CID 103321138) is 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine is CCOC1CCCN(c2nc(Cl)nc3sc(C)cc23)C1.
What is the InChIKey of 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is HKRKNPIBEGXENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-3-19-10-5-4-6-18(8-10)12-11-7-9(2)20-13(11)17-14(15)16-12/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 311.84 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103321138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).