2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline

C12H10Cl3N3 — CID 123166256

IUPAC2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline
SMILESCc1nc(Cl)c(Cc2cccc(Cl)c2N)c(Cl)n1
InChIInChI=1S/C12H10Cl3N3/c1-6-17-11(14)8(12(15)18-6)5-7-3-2-4-9(13)10(7)16/h2-4H,5,16H2,1H3
InChIKeyYUEWJOOYXPDGKH-UHFFFAOYSA-N
MW302.59 g/mol
LogP3.92
Rot. Bonds2

About 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline

2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline (PubChem CID 123166256) has the molecular formula C12H10Cl3N3 and a molecular weight of 302.59 g/mol. Its IUPAC name is 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline
PubChem CID123166256
Molecular FormulaC12H10Cl3N3
Molecular Weight302.59 g/mol
Exact Mass300.99
IUPAC Name2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline
SMILESCc1nc(Cl)c(Cc2cccc(Cl)c2N)c(Cl)n1
InChIInChI=1S/C12H10Cl3N3/c1-6-17-11(14)8(12(15)18-6)5-7-3-2-4-9(13)10(7)16/h2-4H,5,16H2,1H3
InChIKeyYUEWJOOYXPDGKH-UHFFFAOYSA-N
XLogP3.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline?
The IUPAC name of 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline (CID 123166256) is 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline?
The canonical SMILES for 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline is Cc1nc(Cl)c(Cc2cccc(Cl)c2N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline?
The InChIKey is YUEWJOOYXPDGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3/c1-6-17-11(14)8(12(15)18-6)5-7-3-2-4-9(13)10(7)16/h2-4H,5,16H2,1H3.
What are the key properties of 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline?
2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline has a molecular weight of 302.59 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline is sourced from PubChem (CID 123166256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).