5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine

C14H16IN3O — CID 66292297

IUPAC5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(CCOC)nc(-c2ccccc2)c1I
InChIInChI=1S/C14H16IN3O/c1-16-14-12(15)13(10-6-4-3-5-7-10)17-11(18-14)8-9-19-2/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyIZVWDRSILCMTKL-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.98
Rot. Bonds5

About 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine

5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 66292297) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID66292297
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(CCOC)nc(-c2ccccc2)c1I
InChIInChI=1S/C14H16IN3O/c1-16-14-12(15)13(10-6-4-3-5-7-10)17-11(18-14)8-9-19-2/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyIZVWDRSILCMTKL-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine (CID 66292297) is 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine is CNc1nc(CCOC)nc(-c2ccccc2)c1I.
What is the InChIKey of 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is IZVWDRSILCMTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-16-14-12(15)13(10-6-4-3-5-7-10)17-11(18-14)8-9-19-2/h3-7H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine?
5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 369.21 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66292297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).