5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile

C16H15N7S — CID 133487106

IUPAC5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1cc2c(N3CCN(c4cnc(C#N)cn4)CC3)ncnc2s1
InChIInChI=1S/C16H15N7S/c1-11-6-13-15(20-10-21-16(13)24-11)23-4-2-22(3-5-23)14-9-18-12(7-17)8-19-14/h6,8-10H,2-5H2,1H3
InChIKeyIUNPTIHBLLUDKD-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.99
Rot. Bonds2

About 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133487106) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133487106
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1cc2c(N3CCN(c4cnc(C#N)cn4)CC3)ncnc2s1
InChIInChI=1S/C16H15N7S/c1-11-6-13-15(20-10-21-16(13)24-11)23-4-2-22(3-5-23)14-9-18-12(7-17)8-19-14/h6,8-10H,2-5H2,1H3
InChIKeyIUNPTIHBLLUDKD-UHFFFAOYSA-N
XLogP1.99
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133487106) is 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile is Cc1cc2c(N3CCN(c4cnc(C#N)cn4)CC3)ncnc2s1.
What is the InChIKey of 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is IUNPTIHBLLUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/c1-11-6-13-15(20-10-21-16(13)24-11)23-4-2-22(3-5-23)14-9-18-12(7-17)8-19-14/h6,8-10H,2-5H2,1H3.
What are the key properties of 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 337.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133487106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).