2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile

C15H16N4O — CID 107544315

IUPAC2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile
SMILESCCC(C)Oc1cccc(Nc2nccc(C#N)n2)c1
InChIInChI=1S/C15H16N4O/c1-3-11(2)20-14-6-4-5-12(9-14)18-15-17-8-7-13(10-16)19-15/h4-9,11H,3H2,1-2H3,(H,17,18,19)
InChIKeyXBNKBDYJDDRMNO-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.27
Rot. Bonds5

About 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile

2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile (PubChem CID 107544315) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile
PubChem CID107544315
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile
SMILESCCC(C)Oc1cccc(Nc2nccc(C#N)n2)c1
InChIInChI=1S/C15H16N4O/c1-3-11(2)20-14-6-4-5-12(9-14)18-15-17-8-7-13(10-16)19-15/h4-9,11H,3H2,1-2H3,(H,17,18,19)
InChIKeyXBNKBDYJDDRMNO-UHFFFAOYSA-N
XLogP3.27
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
2-anilinopyrimidine-4-carbonitrile
CID 19392543
2-butan-2-yloxypyrimidine-4-carbonitrile
CID 107545828
4-amino-3-(3-butan-2-yloxyanilino)benzonitrile
CID 104711861
N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699
3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
2-(3-butan-2-yloxyanilino)pyridine-4-carbothioamide
CID 62327209
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
CID 62328244
2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
CID 81133161
N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 63548911

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile (CID 107544315) is 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile is CCC(C)Oc1cccc(Nc2nccc(C#N)n2)c1.
What is the InChIKey of 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile?
The InChIKey is XBNKBDYJDDRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-11(2)20-14-6-4-5-12(9-14)18-15-17-8-7-13(10-16)19-15/h4-9,11H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile?
2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).