2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine

C12H11Cl2N3 — CID 75357405

IUPAC2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine
SMILESNCC(c1ccc(Cl)c(Cl)c1)c1ncccn1
InChIInChI=1S/C12H11Cl2N3/c13-10-3-2-8(6-11(10)14)9(7-15)12-16-4-1-5-17-12/h1-6,9H,7,15H2
InChIKeyMLMCSWXBPMRTOH-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.87
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine

2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine (PubChem CID 75357405) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine
PubChem CID75357405
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine
SMILESNCC(c1ccc(Cl)c(Cl)c1)c1ncccn1
InChIInChI=1S/C12H11Cl2N3/c13-10-3-2-8(6-11(10)14)9(7-15)12-16-4-1-5-17-12/h1-6,9H,7,15H2
InChIKeyMLMCSWXBPMRTOH-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine (CID 75357405) is 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine is NCC(c1ccc(Cl)c(Cl)c1)c1ncccn1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine?
The InChIKey is MLMCSWXBPMRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-10-3-2-8(6-11(10)14)9(7-15)12-16-4-1-5-17-12/h1-6,9H,7,15H2.
What are the key properties of 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine?
2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine has a molecular weight of 268.15 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine is sourced from PubChem (CID 75357405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).