2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine

C14H15ClIN3 — CID 66305972

IUPAC2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2Cl)nc(N)c1I
InChIInChI=1S/C14H15ClIN3/c1-2-5-11-13(16)14(17)19-12(18-11)8-9-6-3-4-7-10(9)15/h3-4,6-7H,2,5,8H2,1H3,(H2,17,18,19)
InChIKeyCOZOICDKMULNHL-UHFFFAOYSA-N
MW387.65 g/mol
LogP3.86
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine

2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66305972) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66305972
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC Name2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2Cl)nc(N)c1I
InChIInChI=1S/C14H15ClIN3/c1-2-5-11-13(16)14(17)19-12(18-11)8-9-6-3-4-7-10(9)15/h3-4,6-7H,2,5,8H2,1H3,(H2,17,18,19)
InChIKeyCOZOICDKMULNHL-UHFFFAOYSA-N
XLogP3.86
TPSA51.80 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 ≤ 53.86
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]-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine (CID 66305972) is 2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(Cc2ccccc2Cl)nc(N)c1I.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is COZOICDKMULNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c1-2-5-11-13(16)14(17)19-12(18-11)8-9-6-3-4-7-10(9)15/h3-4,6-7H,2,5,8H2,1H3,(H2,17,18,19).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 387.65 g/mol, XLogP of 3.86, 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]-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).