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

C12H10N4O — CID 80863385

IUPAC2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCNc1cc(Oc2ccccc2C#N)ncn1
InChIInChI=1S/C12H10N4O/c1-14-11-6-12(16-8-15-11)17-10-5-3-2-4-9(10)7-13/h2-6,8H,1H3,(H,14,15,16)
InChIKeyYHPSCLNXLZEZKB-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.18
Rot. Bonds3

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

2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 80863385) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
PubChem CID80863385
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCNc1cc(Oc2ccccc2C#N)ncn1
InChIInChI=1S/C12H10N4O/c1-14-11-6-12(16-8-15-11)17-10-5-3-2-4-9(10)7-13/h2-6,8H,1H3,(H,14,15,16)
InChIKeyYHPSCLNXLZEZKB-UHFFFAOYSA-N
XLogP2.18
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80862938
6-(2-bromophenoxy)-N-methylpyrimidin-4-amine
CID 80859646
6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine
CID 80864261
N-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882478
methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate
CID 11187557
6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
CID 80862951
2-[6-[2-(3-methoxy-1-oxobut-1-en-2-yl)phenoxy]pyrimidin-4-yl]oxybenzonitrile
CID 91278250
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 68917139
methyl (Z)-3-amino-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 177433977
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 6537969
2-(2-cyanophenoxy)benzonitrile
CID 13435570
[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl] 3-methoxyprop-2-enoate
CID 67279116

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile (CID 80863385) is 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile is CNc1cc(Oc2ccccc2C#N)ncn1.
What is the InChIKey of 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is YHPSCLNXLZEZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-14-11-6-12(16-8-15-11)17-10-5-3-2-4-9(10)7-13/h2-6,8H,1H3,(H,14,15,16).
What are the key properties of 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80863385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).