3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

C13H12N4O2 — CID 103568404

IUPAC3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2cc(N)nc(C)n2)c1
InChIInChI=1S/C13H12N4O2/c1-8-16-12(15)6-13(17-8)19-11-4-9(7-14)3-10(5-11)18-2/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyHMFGKPUGNBSSCQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.04
Rot. Bonds3

About 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile (PubChem CID 103568404) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
PubChem CID103568404
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2cc(N)nc(C)n2)c1
InChIInChI=1S/C13H12N4O2/c1-8-16-12(15)6-13(17-8)19-11-4-9(7-14)3-10(5-11)18-2/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyHMFGKPUGNBSSCQ-UHFFFAOYSA-N
XLogP2.04
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566372
2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile
CID 80862632
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566735
2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80872882
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103568115
3-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80965673
3-methoxy-5-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 103566717
3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile
CID 103568468
3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103566354
6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine
CID 80874583
4-(3-cyano-5-methoxyphenoxy)-2-methylbenzonitrile
CID 103566752

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The IUPAC name of 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile (CID 103568404) is 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile.
What is the SMILES notation for 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The canonical SMILES for 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile is COc1cc(C#N)cc(Oc2cc(N)nc(C)n2)c1.
What is the InChIKey of 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The InChIKey is HMFGKPUGNBSSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-16-12(15)6-13(17-8)19-11-4-9(7-14)3-10(5-11)18-2/h3-6H,1-2H3,(H2,15,16,17).
What are the key properties of 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile has a molecular weight of 256.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile is sourced from PubChem (CID 103568404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).