6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine

C17H16IN3 — CID 66298495

IUPAC6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc3ccccc23)nc(NC)c1I
InChIInChI=1S/C17H16IN3/c1-3-14-15(18)17(19-2)21-16(20-14)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,19,20,21)
InChIKeyMCWROFXTHRVMSC-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.51
Rot. Bonds3

About 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine

6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 66298495) has the molecular formula C17H16IN3 and a molecular weight of 389.24 g/mol. Its IUPAC name is 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine
PubChem CID66298495
Molecular FormulaC17H16IN3
Molecular Weight389.24 g/mol
Exact Mass389.04
IUPAC Name6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc3ccccc23)nc(NC)c1I
InChIInChI=1S/C17H16IN3/c1-3-14-15(18)17(19-2)21-16(20-14)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,19,20,21)
InChIKeyMCWROFXTHRVMSC-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.51
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

6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157
6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine
CID 66297541
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66297540
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107539760
5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295791
2-(3-chloro-2-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 114488722
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
2-(1-benzothiophen-3-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66295466
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80970250

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine (CID 66298495) is 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine is CCc1nc(-c2cccc3ccccc23)nc(NC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is MCWROFXTHRVMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3/c1-3-14-15(18)17(19-2)21-16(20-14)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine?
6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 389.24 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 66298495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).