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

C14H11N5 — CID 107543256

IUPAC2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C14H11N5/c1-10-7-12(9-16)18-14(17-10)19(2)13-6-4-3-5-11(13)8-15/h3-7H,1-2H3
InChIKeyIJNYOEUKHUCIHC-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.30
Rot. Bonds2

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

2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543256) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
PubChem CID107543256
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C14H11N5/c1-10-7-12(9-16)18-14(17-10)19(2)13-6-4-3-5-11(13)8-15/h3-7H,1-2H3
InChIKeyIJNYOEUKHUCIHC-UHFFFAOYSA-N
XLogP2.30
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile (CID 107543256) is 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N(C)c2ccccc2C#N)n1.
What is the InChIKey of 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is IJNYOEUKHUCIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-10-7-12(9-16)18-14(17-10)19(2)13-6-4-3-5-11(13)8-15/h3-7H,1-2H3.
What are the key properties of 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile?
2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).