4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine

C15H20ClN3S — CID 2566108

IUPAC4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(CN3CCC(C)CC3)nc(Cl)c2c1C
InChIInChI=1S/C15H20ClN3S/c1-9-4-6-19(7-5-9)8-12-17-14(16)13-10(2)11(3)20-15(13)18-12/h9H,4-8H2,1-3H3
InChIKeyRJVGAHBYZTUEIS-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.19
Rot. Bonds2

About 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine (PubChem CID 2566108) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine
PubChem CID2566108
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(CN3CCC(C)CC3)nc(Cl)c2c1C
InChIInChI=1S/C15H20ClN3S/c1-9-4-6-19(7-5-9)8-12-17-14(16)13-10(2)11(3)20-15(13)18-12/h9H,4-8H2,1-3H3
InChIKeyRJVGAHBYZTUEIS-UHFFFAOYSA-N
XLogP4.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-Chloro-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
CID 2402633
2,7-Dimethyl-4-(piperazin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
CID 3207225
4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine
CID 290212
3-Chloro-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
CID 699515
1-Piperidin-1-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 858935
7-Methyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CID 2006142
2-Methyl-4-piperazin-1-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
CID 2047262
2-Methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 2047299
12-Chloro-10-(piperidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
CID 3564263
2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl)thio]ethyl-dimethyl-amine
CID 664126
5,6-Dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 677414
4-({4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)morpholine
CID 2442208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine (CID 2566108) is 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine is Cc1sc2nc(CN3CCC(C)CC3)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine?
The InChIKey is RJVGAHBYZTUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-9-4-6-19(7-5-9)8-12-17-14(16)13-10(2)11(3)20-15(13)18-12/h9H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine has a molecular weight of 309.87 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2566108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).