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

C15H15N3O — CID 107545714

IUPAC6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2ccccc2C(C)C)n1
InChIInChI=1S/C15H15N3O/c1-10(2)13-6-4-5-7-14(13)19-15-17-11(3)8-12(9-16)18-15/h4-8,10H,1-3H3
InChIKeyTXPOWPOUSSAULU-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.57
Rot. Bonds3

About 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile

6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile (PubChem CID 107545714) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
PubChem CID107545714
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2ccccc2C(C)C)n1
InChIInChI=1S/C15H15N3O/c1-10(2)13-6-4-5-7-14(13)19-15-17-11(3)8-12(9-16)18-15/h4-8,10H,1-3H3
InChIKeyTXPOWPOUSSAULU-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

6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
CID 107545995
6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
CID 107545802
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107552173
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
CID 107546090
6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile
CID 166590118
4-chloro-2-(4-cyano-6-methylpyrimidin-2-yl)oxybenzoic acid
CID 107553002
2-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545863
2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545806
2-(5-methoxy-2-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546076
4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 63511383
6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
CID 107546085
6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile
CID 107546005

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile (CID 107545714) is 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Oc2ccccc2C(C)C)n1.
What is the InChIKey of 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile?
The InChIKey is TXPOWPOUSSAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(2)13-6-4-5-7-14(13)19-15-17-11(3)8-12(9-16)18-15/h4-8,10H,1-3H3.
What are the key properties of 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile?
6-methyl-2-(2-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 6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).