4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline

C15H19N3 — CID 62759149

IUPAC4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline
SMILESCCC(C)c1ccc(NCc2cncnc2)cc1
InChIInChI=1S/C15H19N3/c1-3-12(2)14-4-6-15(7-5-14)18-10-13-8-16-11-17-9-13/h4-9,11-12,18H,3,10H2,1-2H3
InChIKeyYRKCRYXFLGPINZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.60
Rot. Bonds5

About 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline

4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline (PubChem CID 62759149) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline
PubChem CID62759149
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline
SMILESCCC(C)c1ccc(NCc2cncnc2)cc1
InChIInChI=1S/C15H19N3/c1-3-12(2)14-4-6-15(7-5-14)18-10-13-8-16-11-17-9-13/h4-9,11-12,18H,3,10H2,1-2H3
InChIKeyYRKCRYXFLGPINZ-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43230072
4-butan-2-yl-N-[(4-chlorophenyl)methyl]aniline
CID 43230048
4-butan-2-yl-N-[(3,5-difluorophenyl)methyl]aniline
CID 106528332
4-butan-2-yl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117869
4-butan-2-yl-N-[(3,4-difluorophenyl)methyl]aniline
CID 43230078
4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868716
4-[(4-butan-2-ylanilino)methyl]-2-fluorophenol
CID 107685413
4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43780458
4-butan-2-yl-N-methylaniline
CID 22675641
2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
CID 79162732
N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206213
4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline
CID 43681046

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline?
The IUPAC name of 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline (CID 62759149) is 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline.
What is the SMILES notation for 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline?
The canonical SMILES for 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline is CCC(C)c1ccc(NCc2cncnc2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline?
The InChIKey is YRKCRYXFLGPINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-12(2)14-4-6-15(7-5-14)18-10-13-8-16-11-17-9-13/h4-9,11-12,18H,3,10H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline?
4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline has a molecular weight of 241.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline is sourced from PubChem (CID 62759149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).