3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol

C15H18IN3O — CID 66296345

IUPAC3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
SMILESCCCc1nc(-c2cccc(O)c2)nc(NCC)c1I
InChIInChI=1S/C15H18IN3O/c1-3-6-12-13(16)15(17-4-2)19-14(18-12)10-7-5-8-11(20)9-10/h5,7-9,20H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyUPIHUPSQZIRMEB-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.84
Rot. Bonds5

About 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol

3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol (PubChem CID 66296345) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
PubChem CID66296345
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC Name3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
SMILESCCCc1nc(-c2cccc(O)c2)nc(NCC)c1I
InChIInChI=1S/C15H18IN3O/c1-3-6-12-13(16)15(17-4-2)19-14(18-12)10-7-5-8-11(20)9-10/h5,7-9,20H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyUPIHUPSQZIRMEB-UHFFFAOYSA-N
XLogP3.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.84
H-Bond Donors ≤ 52
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 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol (CID 66296345) is 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol is CCCc1nc(-c2cccc(O)c2)nc(NCC)c1I.
What is the InChIKey of 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol?
The InChIKey is UPIHUPSQZIRMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-3-6-12-13(16)15(17-4-2)19-14(18-12)10-7-5-8-11(20)9-10/h5,7-9,20H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol?
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol has a molecular weight of 383.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol is sourced from PubChem (CID 66296345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).