2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile

C20H20N6 — CID 171997362

IUPAC2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(N(C)C2CCN(c3nc4ccccc4cc3C#N)C2)ncn1
InChIInChI=1S/C20H20N6/c1-14-9-19(23-13-22-14)25(2)17-7-8-26(12-17)20-16(11-21)10-15-5-3-4-6-18(15)24-20/h3-6,9-10,13,17H,7-8,12H2,1-2H3
InChIKeyWSHGNQGQZIXRDW-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.92
Rot. Bonds3

About 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile

2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile (PubChem CID 171997362) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile
PubChem CID171997362
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(N(C)C2CCN(c3nc4ccccc4cc3C#N)C2)ncn1
InChIInChI=1S/C20H20N6/c1-14-9-19(23-13-22-14)25(2)17-7-8-26(12-17)20-16(11-21)10-15-5-3-4-6-18(15)24-20/h3-6,9-10,13,17H,7-8,12H2,1-2H3
InChIKeyWSHGNQGQZIXRDW-UHFFFAOYSA-N
XLogP2.92
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile (CID 171997362) is 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile is Cc1cc(N(C)C2CCN(c3nc4ccccc4cc3C#N)C2)ncn1.
What is the InChIKey of 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is WSHGNQGQZIXRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-14-9-19(23-13-22-14)25(2)17-7-8-26(12-17)20-16(11-21)10-15-5-3-4-6-18(15)24-20/h3-6,9-10,13,17H,7-8,12H2,1-2H3.
What are the key properties of 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile?
2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 344.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 171997362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).