N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine

C12H10Cl2IN3 — CID 116648364

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine
SMILESCC(Nc1ncc(I)cn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2IN3/c1-7(10-3-2-8(13)4-11(10)14)18-12-16-5-9(15)6-17-12/h2-7H,1H3,(H,16,17,18)
InChIKeyMRMDRLFFUUSZON-UHFFFAOYSA-N
MW394.04 g/mol
LogP4.56
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine

N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine (PubChem CID 116648364) has the molecular formula C12H10Cl2IN3 and a molecular weight of 394.04 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine
PubChem CID116648364
Molecular FormulaC12H10Cl2IN3
Molecular Weight394.04 g/mol
Exact Mass392.93
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine
SMILESCC(Nc1ncc(I)cn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2IN3/c1-7(10-3-2-8(13)4-11(10)14)18-12-16-5-9(15)6-17-12/h2-7H,1H3,(H,16,17,18)
InChIKeyMRMDRLFFUUSZON-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.04
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 104839907
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
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
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine (CID 116648364) is N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine is CC(Nc1ncc(I)cn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine?
The InChIKey is MRMDRLFFUUSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2IN3/c1-7(10-3-2-8(13)4-11(10)14)18-12-16-5-9(15)6-17-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine has a molecular weight of 394.04 g/mol, XLogP of 4.56, 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]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116648364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).