2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one

C12H14IN3O — CID 66863838

IUPAC2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC(N)c1nc2cccc(C)n2c(=O)c1I
InChIInChI=1S/C12H14IN3O/c1-3-8(14)11-10(13)12(17)16-7(2)5-4-6-9(16)15-11/h4-6,8H,3,14H2,1-2H3
InChIKeyGLUPLKGHUYWXNJ-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.02
Rot. Bonds2

About 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one

2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 66863838) has the molecular formula C12H14IN3O and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID66863838
Molecular FormulaC12H14IN3O
Molecular Weight343.17 g/mol
Exact Mass343.02
IUPAC Name2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC(N)c1nc2cccc(C)n2c(=O)c1I
InChIInChI=1S/C12H14IN3O/c1-3-8(14)11-10(13)12(17)16-7(2)5-4-6-9(16)15-11/h4-6,8H,3,14H2,1-2H3
InChIKeyGLUPLKGHUYWXNJ-UHFFFAOYSA-N
XLogP2.02
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
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 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 66863838) is 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one is CCC(N)c1nc2cccc(C)n2c(=O)c1I.
What is the InChIKey of 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GLUPLKGHUYWXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O/c1-3-8(14)11-10(13)12(17)16-7(2)5-4-6-9(16)15-11/h4-6,8H,3,14H2,1-2H3.
What are the key properties of 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 343.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66863838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).