2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

C14H15ClIN3 — CID 66298883

IUPAC2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(Cc2ccccc2Cl)nc(NC)c1I
InChIInChI=1S/C14H15ClIN3/c1-3-11-13(16)14(17-2)19-12(18-11)8-9-6-4-5-7-10(9)15/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyHOZWBNOPEZSGPP-UHFFFAOYSA-N
MW387.65 g/mol
LogP3.93
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66298883) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66298883
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC Name2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(Cc2ccccc2Cl)nc(NC)c1I
InChIInChI=1S/C14H15ClIN3/c1-3-11-13(16)14(17-2)19-12(18-11)8-9-6-4-5-7-10(9)15/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyHOZWBNOPEZSGPP-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (CID 66298883) is 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is CCc1nc(Cc2ccccc2Cl)nc(NC)c1I.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is HOZWBNOPEZSGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c1-3-11-13(16)14(17-2)19-12(18-11)8-9-6-4-5-7-10(9)15/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 387.65 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66298883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).