6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile

C15H16N4O — CID 115143180

IUPAC6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
SMILESCCc1cc(Nc2cc(C#N)nc(C)n2)ccc1OC
InChIInChI=1S/C15H16N4O/c1-4-11-7-12(5-6-14(11)20-3)19-15-8-13(9-16)17-10(2)18-15/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyNXBZUNLVKRAWBP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.97
Rot. Bonds4

About 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile

6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile (PubChem CID 115143180) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
PubChem CID115143180
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
SMILESCCc1cc(Nc2cc(C#N)nc(C)n2)ccc1OC
InChIInChI=1S/C15H16N4O/c1-4-11-7-12(5-6-14(11)20-3)19-15-8-13(9-16)17-10(2)18-15/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyNXBZUNLVKRAWBP-UHFFFAOYSA-N
XLogP2.97
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143301
2-(3-ethyl-4-methoxyanilino)acetonitrile
CID 115130737
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
3-[[6-(3-chloro-4-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878212
5-bromo-N-(3-ethyl-4-methoxyphenyl)pyridin-2-amine
CID 115146469
6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile
CID 115142693
6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143207
1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide
CID 115171848
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 154795798
4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107794960

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile (CID 115143180) is 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile is CCc1cc(Nc2cc(C#N)nc(C)n2)ccc1OC.
What is the InChIKey of 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile?
The InChIKey is NXBZUNLVKRAWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-4-11-7-12(5-6-14(11)20-3)19-15-8-13(9-16)17-10(2)18-15/h5-8H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile?
6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 115143180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).