6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile

C19H23N5O — CID 133462268

IUPAC6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile
SMILESCCc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)nc(C)n1
InChIInChI=1S/C19H23N5O/c1-3-15-10-18(23-13(2)22-15)24-16-5-7-17(8-6-16)25-19-9-4-14(11-20)12-21-19/h4,9-10,12,16-17H,3,5-8H2,1-2H3,(H,22,23,24)
InChIKeyIBRLZROQRIUEGO-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.42
Rot. Bonds5

About 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile

6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile (PubChem CID 133462268) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile
PubChem CID133462268
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile
SMILESCCc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)nc(C)n1
InChIInChI=1S/C19H23N5O/c1-3-15-10-18(23-13(2)22-15)24-16-5-7-17(8-6-16)25-19-9-4-14(11-20)12-21-19/h4,9-10,12,16-17H,3,5-8H2,1-2H3,(H,22,23,24)
InChIKeyIBRLZROQRIUEGO-UHFFFAOYSA-N
XLogP3.42
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile (CID 133462268) is 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile is CCc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)nc(C)n1.
What is the InChIKey of 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile?
The InChIKey is IBRLZROQRIUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-15-10-18(23-13(2)22-15)24-16-5-7-17(8-6-16)25-19-9-4-14(11-20)12-21-19/h4,9-10,12,16-17H,3,5-8H2,1-2H3,(H,22,23,24).
What are the key properties of 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile?
6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 133462268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).