2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile

C14H14N4O — CID 110383536

IUPAC2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCCOc1ccccc1Nc1nc(C)cc(C#N)n1
InChIInChI=1S/C14H14N4O/c1-3-19-13-7-5-4-6-12(13)18-14-16-10(2)8-11(9-15)17-14/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyPQSHPWBVVZENGD-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile

2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 110383536) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile
PubChem CID110383536
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCCOc1ccccc1Nc1nc(C)cc(C#N)n1
InChIInChI=1S/C14H14N4O/c1-3-19-13-7-5-4-6-12(13)18-14-16-10(2)8-11(9-15)17-14/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyPQSHPWBVVZENGD-UHFFFAOYSA-N
XLogP2.80
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930861
2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544878
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546227
6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile
CID 110383544
methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]benzoate
CID 110383551
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927430
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829
4-[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914579
2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383586
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930019
N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109332780

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile (CID 110383536) is 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile is CCOc1ccccc1Nc1nc(C)cc(C#N)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is PQSHPWBVVZENGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-19-13-7-5-4-6-12(13)18-14-16-10(2)8-11(9-15)17-14/h4-8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile?
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 110383536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).