4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile

C15H15N5O — CID 165434598

IUPAC4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile
SMILESCc1ncnc(N2CC(Oc3ccnc(C#N)c3)C2)c1C
InChIInChI=1S/C15H15N5O/c1-10-11(2)18-9-19-15(10)20-7-14(8-20)21-13-3-4-17-12(5-13)6-16/h3-5,9,14H,7-8H2,1-2H3
InChIKeyWSFVYRWEIGSKQO-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.63
Rot. Bonds3

About 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile

4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile (PubChem CID 165434598) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile
PubChem CID165434598
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile
SMILESCc1ncnc(N2CC(Oc3ccnc(C#N)c3)C2)c1C
InChIInChI=1S/C15H15N5O/c1-10-11(2)18-9-19-15(10)20-7-14(8-20)21-13-3-4-17-12(5-13)6-16/h3-5,9,14H,7-8H2,1-2H3
InChIKeyWSFVYRWEIGSKQO-UHFFFAOYSA-N
XLogP1.63
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile
CID 165434613
4-cyclobutyloxypyridine-2-carbonitrile
CID 62937286
4-cyclopentyloxypyridine-2-carbonitrile
CID 62936068
3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide
CID 165435883
4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile
CID 165435668
CID 153376709
CID 153376709
4-[[3-(5,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]sulfonyl]benzonitrile
CID 172893791
4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine
CID 135154118
3-[1-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]oxybenzonitrile
CID 56605422
5-(5,6-dimethylpyrimidin-4-yl)-2-pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933577
5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine
CID 146079539
4-(2,3-dimethylphenoxy)pyridine-2-carbonitrile
CID 62935721

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile (CID 165434598) is 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile is Cc1ncnc(N2CC(Oc3ccnc(C#N)c3)C2)c1C.
What is the InChIKey of 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile?
The InChIKey is WSFVYRWEIGSKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-11(2)18-9-19-15(10)20-7-14(8-20)21-13-3-4-17-12(5-13)6-16/h3-5,9,14H,7-8H2,1-2H3.
What are the key properties of 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile?
4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 165434598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).