5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile

C20H17N5S — CID 135333318

IUPAC5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile
SMILESCc1cc2ccccc2n1CCNc1cc(-c2ccc(C#N)s2)ncn1
InChIInChI=1S/C20H17N5S/c1-14-10-15-4-2-3-5-18(15)25(14)9-8-22-20-11-17(23-13-24-20)19-7-6-16(12-21)26-19/h2-7,10-11,13H,8-9H2,1H3,(H,22,23,24)
InChIKeyCFOVGRBLOGUVBF-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.45
Rot. Bonds5

About 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile

5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile (PubChem CID 135333318) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile
PubChem CID135333318
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC Name5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile
SMILESCc1cc2ccccc2n1CCNc1cc(-c2ccc(C#N)s2)ncn1
InChIInChI=1S/C20H17N5S/c1-14-10-15-4-2-3-5-18(15)25(14)9-8-22-20-11-17(23-13-24-20)19-7-6-16(12-21)26-19/h2-7,10-11,13H,8-9H2,1H3,(H,22,23,24)
InChIKeyCFOVGRBLOGUVBF-UHFFFAOYSA-N
XLogP4.45
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile (CID 135333318) is 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile is Cc1cc2ccccc2n1CCNc1cc(-c2ccc(C#N)s2)ncn1.
What is the InChIKey of 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile?
The InChIKey is CFOVGRBLOGUVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c1-14-10-15-4-2-3-5-18(15)25(14)9-8-22-20-11-17(23-13-24-20)19-7-6-16(12-21)26-19/h2-7,10-11,13H,8-9H2,1H3,(H,22,23,24).
What are the key properties of 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile?
5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile has a molecular weight of 359.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 135333318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).