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

C18H20N4S — CID 705854

IUPAC5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C
InChIInChI=1S/C18H20N4S/c1-13-14(2)23-18-16(13)17(19-12-20-18)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyOIARXNUDEFZOLK-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.63
Rot. Bonds2

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

5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 705854) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID705854
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C
InChIInChI=1S/C18H20N4S/c1-13-14(2)23-18-16(13)17(19-12-20-18)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyOIARXNUDEFZOLK-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 11
CID 6539972
Thienopyrimidine deriv. 72
CID 6539979
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 74
CID 6539983
Thienopyrimidine deriv. 75
CID 6539984
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 10
CID 6539988

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 705854) is 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is OIARXNUDEFZOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13-14(2)23-18-16(13)17(19-12-20-18)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 324.45 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 705854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).