6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C18H20N4S — CID 71690948

IUPAC6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(C)C3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C18H20N4S/c1-12-5-4-8-22(11-12)17-15-9-13(2)23-18(15)21-16(20-17)14-6-3-7-19-10-14/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3
InChIKeySFNAXTRXIWNUEL-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.30
Rot. Bonds2

About 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine

6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 71690948) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID71690948
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(C)C3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C18H20N4S/c1-12-5-4-8-22(11-12)17-15-9-13(2)23-18(15)21-16(20-17)14-6-3-7-19-10-14/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3
InChIKeySFNAXTRXIWNUEL-UHFFFAOYSA-N
XLogP4.30
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965355
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
4-(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 91965364
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327825
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
[6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333721
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 71690948) is 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCCC(C)C3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is SFNAXTRXIWNUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-12-5-4-8-22(11-12)17-15-9-13(2)23-18(15)21-16(20-17)14-6-3-7-19-10-14/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3.
What are the key properties of 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 324.45 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 71690948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).