2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile

C14H14N4O2 — CID 107543373

IUPAC2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCOc1cc(Nc2nc(C)cc(C#N)n2)cc(OC)c1
InChIInChI=1S/C14H14N4O2/c1-9-4-11(8-15)18-14(16-9)17-10-5-12(19-2)7-13(6-10)20-3/h4-7H,1-3H3,(H,16,17,18)
InChIKeySPOSKOPLNYQNNT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.42
Rot. Bonds4

About 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile

2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543373) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
PubChem CID107543373
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCOc1cc(Nc2nc(C)cc(C#N)n2)cc(OC)c1
InChIInChI=1S/C14H14N4O2/c1-9-4-11(8-15)18-14(16-9)17-10-5-12(19-2)7-13(6-10)20-3/h4-7H,1-3H3,(H,16,17,18)
InChIKeySPOSKOPLNYQNNT-UHFFFAOYSA-N
XLogP2.42
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383534
2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544919
2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544878
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
2-[3-chloro-5-(trifluoromethyl)anilino]-6-methylpyrimidine-4-carbonitrile
CID 107545343
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114766532
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383536
methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]benzoate
CID 110383551
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934
4-N-(3,5-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80759200

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile (CID 107543373) is 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile is COc1cc(Nc2nc(C)cc(C#N)n2)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is SPOSKOPLNYQNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-4-11(8-15)18-14(16-9)17-10-5-12(19-2)7-13(6-10)20-3/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile?
2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).