5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one

C13H22IN3O2 — CID 66341176

IUPAC5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCNCCCOC(C)C
InChIInChI=1S/C13H22IN3O2/c1-10(2)19-8-4-5-15-6-7-17-11(3)16-9-12(14)13(17)18/h9-10,15H,4-8H2,1-3H3
InChIKeyUIAOVJWGIKTPEZ-UHFFFAOYSA-N
MW379.24 g/mol
LogP1.56
Rot. Bonds8

About 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one

5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one (PubChem CID 66341176) has the molecular formula C13H22IN3O2 and a molecular weight of 379.24 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one
PubChem CID66341176
Molecular FormulaC13H22IN3O2
Molecular Weight379.24 g/mol
Exact Mass379.08
IUPAC Name5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCNCCCOC(C)C
InChIInChI=1S/C13H22IN3O2/c1-10(2)19-8-4-5-15-6-7-17-11(3)16-9-12(14)13(17)18/h9-10,15H,4-8H2,1-3H3
InChIKeyUIAOVJWGIKTPEZ-UHFFFAOYSA-N
XLogP1.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one (CID 66341176) is 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one is Cc1ncc(I)c(=O)n1CCNCCCOC(C)C.
What is the InChIKey of 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one?
The InChIKey is UIAOVJWGIKTPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O2/c1-10(2)19-8-4-5-15-6-7-17-11(3)16-9-12(14)13(17)18/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one?
5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one has a molecular weight of 379.24 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66341176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).