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

C18H20N4S — CID 4060720

IUPAC2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(c3ccccc3)CC2)c2cc(C)sc2n1
InChIInChI=1S/C18H20N4S/c1-13-12-16-17(19-14(2)20-18(16)23-13)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyVDCNSZKLTQLHTJ-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.63
Rot. Bonds2

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

2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 4060720) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID4060720
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(c3ccccc3)CC2)c2cc(C)sc2n1
InChIInChI=1S/C18H20N4S/c1-13-12-16-17(19-14(2)20-18(16)23-13)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyVDCNSZKLTQLHTJ-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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 4060720) is 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is Cc1nc(N2CCN(c3ccccc3)CC2)c2cc(C)sc2n1.
What is the InChIKey of 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is VDCNSZKLTQLHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13-12-16-17(19-14(2)20-18(16)23-13)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 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
2,6-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 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 4060720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).