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

C16H18N6S — CID 711090

IUPAC5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4ncccn4)CC3)c2c1C
InChIInChI=1S/C16H18N6S/c1-11-12(2)23-15-13(11)14(19-10-20-15)21-6-8-22(9-7-21)16-17-4-3-5-18-16/h3-5,10H,6-9H2,1-2H3
InChIKeyBTJSGQQBWYPIRI-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.42
Rot. Bonds2

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

5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 711090) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID711090
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4ncccn4)CC3)c2c1C
InChIInChI=1S/C16H18N6S/c1-11-12(2)23-15-13(11)14(19-10-20-15)21-6-8-22(9-7-21)16-17-4-3-5-18-16/h3-5,10H,6-9H2,1-2H3
InChIKeyBTJSGQQBWYPIRI-UHFFFAOYSA-N
XLogP2.42
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 711090) is 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCN(c4ncccn4)CC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is BTJSGQQBWYPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-12(2)23-15-13(11)14(19-10-20-15)21-6-8-22(9-7-21)16-17-4-3-5-18-16/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 326.43 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 711090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).