2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine

C12H11Cl2N3 — CID 62602413

IUPAC2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1ncccn1
InChIInChI=1S/C12H11Cl2N3/c13-9-3-1-4-10(14)8(9)7-11(15)12-16-5-2-6-17-12/h1-6,11H,7,15H2
InChIKeyLBLPSFJPFGRMMT-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine

2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine (PubChem CID 62602413) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine
PubChem CID62602413
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1ncccn1
InChIInChI=1S/C12H11Cl2N3/c13-9-3-1-4-10(14)8(9)7-11(15)12-16-5-2-6-17-12/h1-6,11H,7,15H2
InChIKeyLBLPSFJPFGRMMT-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanol
CID 62606143
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanamine
CID 55078463
2-(2,6-dichlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155828
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 107974218
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
2-(2,6-dichlorophenyl)-1-nitrosoethanamine
CID 165356359

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine (CID 62602413) is 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine is NC(Cc1c(Cl)cccc1Cl)c1ncccn1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine?
The InChIKey is LBLPSFJPFGRMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-9-3-1-4-10(14)8(9)7-11(15)12-16-5-2-6-17-12/h1-6,11H,7,15H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine?
2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine has a molecular weight of 268.15 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62602413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).