4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile

C12H10N4O2 — CID 79915853

IUPAC4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1ncncc1N
InChIInChI=1S/C12H10N4O2/c1-17-11-4-8(5-13)2-3-10(11)18-12-9(14)6-15-7-16-12/h2-4,6-7H,14H2,1H3
InChIKeyLGTKNEVOQUEQNW-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.73
Rot. Bonds3

About 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile

4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile (PubChem CID 79915853) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
PubChem CID79915853
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1ncncc1N
InChIInChI=1S/C12H10N4O2/c1-17-11-4-8(5-13)2-3-10(11)18-12-9(14)6-15-7-16-12/h2-4,6-7H,14H2,1H3
InChIKeyLGTKNEVOQUEQNW-UHFFFAOYSA-N
XLogP1.73
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-aminopyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115467627
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469506
4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
CID 79917584
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
5-amino-6-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxamide
CID 114408412
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 103331744
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
6-amino-5-methoxypyridine-3-carbonitrile
CID 89437143
3-methoxy-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749502
2-(4-cyano-2-methoxyphenoxy)pyridine-3-sulfonamide
CID 115928413
4-[[5-(chloromethyl)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80628683

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile?
The IUPAC name of 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile (CID 79915853) is 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile.
What is the SMILES notation for 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile?
The canonical SMILES for 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile is COc1cc(C#N)ccc1Oc1ncncc1N.
What is the InChIKey of 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile?
The InChIKey is LGTKNEVOQUEQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-17-11-4-8(5-13)2-3-10(11)18-12-9(14)6-15-7-16-12/h2-4,6-7H,14H2,1H3.
What are the key properties of 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile?
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile is sourced from PubChem (CID 79915853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).