6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile

C15H16N4O — CID 116862722

IUPAC6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile
SMILESCOc1cc(C)c(-c2nc(N)cc(C#N)n2)c(C)c1C
InChIInChI=1S/C15H16N4O/c1-8-5-12(20-4)9(2)10(3)14(8)15-18-11(7-16)6-13(17)19-15/h5-6H,1-4H3,(H2,17,18,19)
InChIKeyWGPOLKKUOGIYBW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.53
Rot. Bonds2

About 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile

6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile (PubChem CID 116862722) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile
PubChem CID116862722
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile
SMILESCOc1cc(C)c(-c2nc(N)cc(C#N)n2)c(C)c1C
InChIInChI=1S/C15H16N4O/c1-8-5-12(20-4)9(2)10(3)14(8)15-18-11(7-16)6-13(17)19-15/h5-6H,1-4H3,(H2,17,18,19)
InChIKeyWGPOLKKUOGIYBW-UHFFFAOYSA-N
XLogP2.53
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 116862627
5-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828197
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 95481914
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733
3-methoxy-2,5-dimethyl-6-pyrimidin-2-ylbenzonitrile
CID 102334301
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293771
6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile
CID 116862707
6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile
CID 116862729
[5-(4-methoxy-2,3,6-trimethylphenyl)pyrimidin-2-yl]cyanamide
CID 116975563
5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole
CID 116869004
4-ethyl-5-(4-methoxy-2,3,6-trimethylphenyl)-1,3-oxazol-2-amine
CID 116832119

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile (CID 116862722) is 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile is COc1cc(C)c(-c2nc(N)cc(C#N)n2)c(C)c1C.
What is the InChIKey of 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile?
The InChIKey is WGPOLKKUOGIYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-8-5-12(20-4)9(2)10(3)14(8)15-18-11(7-16)6-13(17)19-15/h5-6H,1-4H3,(H2,17,18,19).
What are the key properties of 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile?
6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 116862722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).