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

C20H24N4S2 — CID 2553460

IUPAC5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(CSc3ccccc3)nc(N3CCN(C)CC3)c2c1C
InChIInChI=1S/C20H24N4S2/c1-14-15(2)26-20-18(14)19(24-11-9-23(3)10-12-24)21-17(22-20)13-25-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3
InChIKeyYWBVLUMOMXAOPU-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.35
Rot. Bonds4

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

5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine (PubChem CID 2553460) has the molecular formula C20H24N4S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
PubChem CID2553460
Molecular FormulaC20H24N4S2
Molecular Weight384.57 g/mol
Exact Mass384.14
IUPAC Name5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(CSc3ccccc3)nc(N3CCN(C)CC3)c2c1C
InChIInChI=1S/C20H24N4S2/c1-14-15(2)26-20-18(14)19(24-11-9-23(3)10-12-24)21-17(22-20)13-25-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3
InChIKeyYWBVLUMOMXAOPU-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine (CID 2553460) is 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine is Cc1sc2nc(CSc3ccccc3)nc(N3CCN(C)CC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine?
The InChIKey is YWBVLUMOMXAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S2/c1-14-15(2)26-20-18(14)19(24-11-9-23(3)10-12-24)21-17(22-20)13-25-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3.
What are the key properties of 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine has a molecular weight of 384.57 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2553460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).