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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Related Compounds

(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine
CID 116833801
2-pyridin-4-yl-2-pyrimidin-2-ylethanamine
CID 116833880
2-(1,3-benzoxazol-6-yl)-2-pyrimidin-2-ylethanamine
CID 116833862
5-(2-amino-1-pyrimidin-2-ylethyl)-1-methyl-3H-indol-2-one
CID 116833836
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
2-(3-chlorophenyl)-2-pyridin-2-ylethanamine
CID 75357398
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
2-(3-chloro-4-fluorophenyl)-2-pyrimidin-4-ylethanamine
CID 116833688
3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 130604698
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]pyrimidine
CID 114552967
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952

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).