5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine

C15H18IN3O2 — CID 66304459

IUPAC5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(OC)c2)nc(COC)c1I
InChIInChI=1S/C15H18IN3O2/c1-17-15-14(16)12(9-20-2)18-13(19-15)8-10-5-4-6-11(7-10)21-3/h4-7H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyWWAOTNVXHBAWFM-UHFFFAOYSA-N
MW399.23 g/mol
LogP2.87
Rot. Bonds6

About 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine

5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 66304459) has the molecular formula C15H18IN3O2 and a molecular weight of 399.23 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID66304459
Molecular FormulaC15H18IN3O2
Molecular Weight399.23 g/mol
Exact Mass399.04
IUPAC Name5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(OC)c2)nc(COC)c1I
InChIInChI=1S/C15H18IN3O2/c1-17-15-14(16)12(9-20-2)18-13(19-15)8-10-5-4-6-11(7-10)21-3/h4-7H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyWWAOTNVXHBAWFM-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 63561150
6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62319868
2-[(3-bromophenyl)methyl]-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 66293662
4-chloro-5-iodo-6-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrimidine
CID 66292026
5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
CID 103348437
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine
CID 66292488
5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66300961
N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366170
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine (CID 66304459) is 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine is CNc1nc(Cc2cccc(OC)c2)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is WWAOTNVXHBAWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2/c1-17-15-14(16)12(9-20-2)18-13(19-15)8-10-5-4-6-11(7-10)21-3/h4-7H,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 399.23 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66304459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).