N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine

C12H11Cl2N3 — CID 43080819

IUPACN-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-8(17-12-15-5-2-6-16-12)10-4-3-9(13)7-11(10)14/h2-8H,1H3,(H,15,16,17)
InChIKeyGOZOHCPMGAVYDD-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.96
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine

N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine (PubChem CID 43080819) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
PubChem CID43080819
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-8(17-12-15-5-2-6-16-12)10-4-3-9(13)7-11(10)14/h2-8H,1H3,(H,15,16,17)
InChIKeyGOZOHCPMGAVYDD-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648364
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706442
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869021
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
CID 60677573
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 63961093
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine (CID 43080819) is N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine is CC(Nc1ncccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine?
The InChIKey is GOZOHCPMGAVYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-8(17-12-15-5-2-6-16-12)10-4-3-9(13)7-11(10)14/h2-8H,1H3,(H,15,16,17).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine?
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine has a molecular weight of 268.15 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 43080819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).