5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine

C15H18IN3 — CID 66304585

IUPAC5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2cccc(C)c2)nc(N)c1I
InChIInChI=1S/C15H18IN3/c1-3-5-12-14(16)15(17)19-13(18-12)9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H2,17,18,19)
InChIKeyODIJGWDPRLVOQD-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.52
Rot. Bonds4

About 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine

5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 66304585) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
PubChem CID66304585
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC Name5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2cccc(C)c2)nc(N)c1I
InChIInChI=1S/C15H18IN3/c1-3-5-12-14(16)15(17)19-13(18-12)9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H2,17,18,19)
InChIKeyODIJGWDPRLVOQD-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.52
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 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine (CID 66304585) is 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine is CCCc1nc(Cc2cccc(C)c2)nc(N)c1I.
What is the InChIKey of 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is ODIJGWDPRLVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c1-3-5-12-14(16)15(17)19-13(18-12)9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine?
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 367.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66304585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).