6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine

C13H15IN4O — CID 114938393

IUPAC6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(OC)nc2)nc(NC)c1I
InChIInChI=1S/C13H15IN4O/c1-4-9-11(14)13(15-2)18-12(17-9)8-5-6-10(19-3)16-7-8/h5-7H,4H2,1-3H3,(H,15,17,18)
InChIKeyLPMNXBWIBMYQLG-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.76
Rot. Bonds4

About 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine

6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine (PubChem CID 114938393) has the molecular formula C13H15IN4O and a molecular weight of 370.19 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
PubChem CID114938393
Molecular FormulaC13H15IN4O
Molecular Weight370.19 g/mol
Exact Mass370.03
IUPAC Name6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(OC)nc2)nc(NC)c1I
InChIInChI=1S/C13H15IN4O/c1-4-9-11(14)13(15-2)18-12(17-9)8-5-6-10(19-3)16-7-8/h5-7H,4H2,1-3H3,(H,15,17,18)
InChIKeyLPMNXBWIBMYQLG-UHFFFAOYSA-N
XLogP2.76
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.76
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-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 114938397
2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114938362
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
5-iodo-6-(methoxymethyl)-N-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66296431
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357
6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine
CID 103375031
6-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938348

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine (CID 114938393) is 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine is CCc1nc(-c2ccc(OC)nc2)nc(NC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine?
The InChIKey is LPMNXBWIBMYQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O/c1-4-9-11(14)13(15-2)18-12(17-9)8-5-6-10(19-3)16-7-8/h5-7H,4H2,1-3H3,(H,15,17,18).
What are the key properties of 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine?
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine has a molecular weight of 370.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114938393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).