5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine

C16H17N5S — CID 154799693

IUPAC5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine
SMILESCc1ncc2c(n1)CN(c1ncnc3sc(C)c(C)c13)CC2
InChIInChI=1S/C16H17N5S/c1-9-10(2)22-16-14(9)15(18-8-19-16)21-5-4-12-6-17-11(3)20-13(12)7-21/h6,8H,4-5,7H2,1-3H3
InChIKeyDEDCIBIMIOFYNF-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.97
Rot. Bonds1

About 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine

5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine (PubChem CID 154799693) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine
PubChem CID154799693
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine
SMILESCc1ncc2c(n1)CN(c1ncnc3sc(C)c(C)c13)CC2
InChIInChI=1S/C16H17N5S/c1-9-10(2)22-16-14(9)15(18-8-19-16)21-5-4-12-6-17-11(3)20-13(12)7-21/h6,8H,4-5,7H2,1-3H3
InChIKeyDEDCIBIMIOFYNF-UHFFFAOYSA-N
XLogP2.97
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine
CID 167862191
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
4-(1,4-diazepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18526382
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
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
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-[4-(4-chlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 35475008
5,6-dimethyl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 8566414
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine (CID 154799693) is 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine is Cc1ncc2c(n1)CN(c1ncnc3sc(C)c(C)c13)CC2.
What is the InChIKey of 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine?
The InChIKey is DEDCIBIMIOFYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-9-10(2)22-16-14(9)15(18-8-19-16)21-5-4-12-6-17-11(3)20-13(12)7-21/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine has a molecular weight of 311.41 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 154799693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).