N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine

C15H17ClIN3O — CID 143652236

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCc2ccc(Cl)cc2)nc(OC(C)I)n1
InChIInChI=1S/C15H17ClIN3O/c1-10-9-14(20-15(19-10)21-11(2)17)18-8-7-12-3-5-13(16)6-4-12/h3-6,9,11H,7-8H2,1-2H3,(H,18,19,20)
InChIKeySLALWVZJDFFTGB-UHFFFAOYSA-N
MW417.68 g/mol
LogP4.25
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine (PubChem CID 143652236) has the molecular formula C15H17ClIN3O and a molecular weight of 417.68 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine
PubChem CID143652236
Molecular FormulaC15H17ClIN3O
Molecular Weight417.68 g/mol
Exact Mass417.01
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCc2ccc(Cl)cc2)nc(OC(C)I)n1
InChIInChI=1S/C15H17ClIN3O/c1-10-9-14(20-15(19-10)21-11(2)17)18-8-7-12-3-5-13(16)6-4-12/h3-6,9,11H,7-8H2,1-2H3,(H,18,19,20)
InChIKeySLALWVZJDFFTGB-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.68
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922602
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112874922
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767308
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917972
2-N-(2-chlorophenyl)-4-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922623
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920094
N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475522
4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine (CID 143652236) is N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine is Cc1cc(NCCc2ccc(Cl)cc2)nc(OC(C)I)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine?
The InChIKey is SLALWVZJDFFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClIN3O/c1-10-9-14(20-15(19-10)21-11(2)17)18-8-7-12-3-5-13(16)6-4-12/h3-6,9,11H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine has a molecular weight of 417.68 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 143652236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).