5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol

C14H16IN3O2 — CID 66295374

IUPAC5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol
SMILESCCCc1nc(-c2ccc(OC)c(O)c2)nc(N)c1I
InChIInChI=1S/C14H16IN3O2/c1-3-4-9-12(15)13(16)18-14(17-9)8-5-6-11(20-2)10(19)7-8/h5-7,19H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyCLMDXRLHXVYBTQ-UHFFFAOYSA-N
MW385.21 g/mol
LogP3.00
Rot. Bonds4

About 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol

5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol (PubChem CID 66295374) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol
PubChem CID66295374
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol
SMILESCCCc1nc(-c2ccc(OC)c(O)c2)nc(N)c1I
InChIInChI=1S/C14H16IN3O2/c1-3-4-9-12(15)13(16)18-14(17-9)8-5-6-11(20-2)10(19)7-8/h5-7,19H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyCLMDXRLHXVYBTQ-UHFFFAOYSA-N
XLogP3.00
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol?
The IUPAC name of 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol (CID 66295374) is 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol?
The canonical SMILES for 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol is CCCc1nc(-c2ccc(OC)c(O)c2)nc(N)c1I.
What is the InChIKey of 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol?
The InChIKey is CLMDXRLHXVYBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O2/c1-3-4-9-12(15)13(16)18-14(17-9)8-5-6-11(20-2)10(19)7-8/h5-7,19H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol?
5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol has a molecular weight of 385.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol is sourced from PubChem (CID 66295374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).