2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile

C14H14N4O — CID 107544248

IUPAC2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCOc1ccccc1N(C)c1nc(C)cc(C#N)n1
InChIInChI=1S/C14H14N4O/c1-10-8-11(9-15)17-14(16-10)18(2)12-6-4-5-7-13(12)19-3/h4-8H,1-3H3
InChIKeyDPCQCAGXWXBZHY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile

2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544248) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
PubChem CID107544248
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCOc1ccccc1N(C)c1nc(C)cc(C#N)n1
InChIInChI=1S/C14H14N4O/c1-10-8-11(9-15)17-14(16-10)18(2)12-6-4-5-7-13(12)19-3/h4-8H,1-3H3
InChIKeyDPCQCAGXWXBZHY-UHFFFAOYSA-N
XLogP2.43
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile (CID 107544248) is 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile is COc1ccccc1N(C)c1nc(C)cc(C#N)n1.
What is the InChIKey of 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is DPCQCAGXWXBZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-8-11(9-15)17-14(16-10)18(2)12-6-4-5-7-13(12)19-3/h4-8H,1-3H3.
What are the key properties of 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile?
2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).