2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile

C15H15N3O — CID 107545835

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
SMILESCc1ccc(C(C)C)cc1Oc1nccc(C#N)n1
InChIInChI=1S/C15H15N3O/c1-10(2)12-5-4-11(3)14(8-12)19-15-17-7-6-13(9-16)18-15/h4-8,10H,1-3H3
InChIKeyVBQJMYRVYHXTPZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.57
Rot. Bonds3

About 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile

2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile (PubChem CID 107545835) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
PubChem CID107545835
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
SMILESCc1ccc(C(C)C)cc1Oc1nccc(C#N)n1
InChIInChI=1S/C15H15N3O/c1-10(2)12-5-4-11(3)14(8-12)19-15-17-7-6-13(9-16)18-15/h4-8,10H,1-3H3
InChIKeyVBQJMYRVYHXTPZ-UHFFFAOYSA-N
XLogP3.57
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 107542628
4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 63885020
2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107545976
2-(4-bromo-3,5-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107723258
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
CID 107546049
5-amino-2-(2-methyl-5-propan-2-ylphenoxy)benzonitrile
CID 63458751
5-amino-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469664
2-butan-2-yloxypyrimidine-4-carbonitrile
CID 107545828
2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553105
2-naphthalen-1-yloxypyrimidine-4-carbonitrile
CID 107545702
5-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 62476910

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile (CID 107545835) is 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile is Cc1ccc(C(C)C)cc1Oc1nccc(C#N)n1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile?
The InChIKey is VBQJMYRVYHXTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(2)12-5-4-11(3)14(8-12)19-15-17-7-6-13(9-16)18-15/h4-8,10H,1-3H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile?
2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).