2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline

C11H9Cl2N3 — CID 62760795

IUPAC2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline
SMILESClc1ccc(NCc2cncnc2)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3/c12-9-1-2-11(10(13)3-9)16-6-8-4-14-7-15-5-8/h1-5,7,16H,6H2
InChIKeyGOYHRICNMMWYPY-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.40
Rot. Bonds3

About 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline

2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline (PubChem CID 62760795) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline
PubChem CID62760795
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline
SMILESClc1ccc(NCc2cncnc2)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3/c12-9-1-2-11(10(13)3-9)16-6-8-4-14-7-15-5-8/h1-5,7,16H,6H2
InChIKeyGOYHRICNMMWYPY-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62758955
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
6-chloro-N-(pyrimidin-5-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62759342
3-chloro-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760794
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760447
2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378164
2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
CID 62759371
4-iodo-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760091
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911
2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 55198626

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline (CID 62760795) is 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline is Clc1ccc(NCc2cncnc2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline?
The InChIKey is GOYHRICNMMWYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c12-9-1-2-11(10(13)3-9)16-6-8-4-14-7-15-5-8/h1-5,7,16H,6H2.
What are the key properties of 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline?
2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline has a molecular weight of 254.12 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline is sourced from PubChem (CID 62760795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).