3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile

C15H14N4O — CID 80965882

IUPAC3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCNc1cc(Oc2cccc(C#N)c2)nc(C2CC2)n1
InChIInChI=1S/C15H14N4O/c1-17-13-8-14(19-15(18-13)11-5-6-11)20-12-4-2-3-10(7-12)9-16/h2-4,7-8,11H,5-6H2,1H3,(H,17,18,19)
InChIKeyBYRHTQARBXLTBO-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.06
Rot. Bonds4

About 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile

3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 80965882) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
PubChem CID80965882
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCNc1cc(Oc2cccc(C#N)c2)nc(C2CC2)n1
InChIInChI=1S/C15H14N4O/c1-17-13-8-14(19-15(18-13)11-5-6-11)20-12-4-2-3-10(7-12)9-16/h2-4,7-8,11H,5-6H2,1H3,(H,17,18,19)
InChIKeyBYRHTQARBXLTBO-UHFFFAOYSA-N
XLogP3.06
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
CID 80965784
2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
CID 80966422
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80966723
3-[(4-amino-6-chloro-2-pyridinyl)oxy]benzonitrile
CID 114070670
2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 102989022

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile (CID 80965882) is 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile is CNc1cc(Oc2cccc(C#N)c2)nc(C2CC2)n1.
What is the InChIKey of 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is BYRHTQARBXLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-17-13-8-14(19-15(18-13)11-5-6-11)20-12-4-2-3-10(7-12)9-16/h2-4,7-8,11H,5-6H2,1H3,(H,17,18,19).
What are the key properties of 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 266.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80965882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).