5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one

C10H16IN3O2 — CID 66308869

IUPAC5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCOCC(C)NCCn1cncc(I)c1=O
InChIInChI=1S/C10H16IN3O2/c1-8(6-16-2)13-3-4-14-7-12-5-9(11)10(14)15/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyHRMLRZNJERRNGW-UHFFFAOYSA-N
MW337.16 g/mol
LogP0.47
Rot. Bonds6

About 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one

5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 66308869) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID66308869
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCOCC(C)NCCn1cncc(I)c1=O
InChIInChI=1S/C10H16IN3O2/c1-8(6-16-2)13-3-4-14-7-12-5-9(11)10(14)15/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyHRMLRZNJERRNGW-UHFFFAOYSA-N
XLogP0.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
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-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one (CID 66308869) is 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one is COCC(C)NCCn1cncc(I)c1=O.
What is the InChIKey of 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is HRMLRZNJERRNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-8(6-16-2)13-3-4-14-7-12-5-9(11)10(14)15/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one?
5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 337.16 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66308869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).