3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one

C10H16IN3O2 — CID 66309276

IUPAC3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one
SMILESCCCNCC(O)Cn1cncc(I)c1=O
InChIInChI=1S/C10H16IN3O2/c1-2-3-12-4-8(15)6-14-7-13-5-9(11)10(14)16/h5,7-8,12,15H,2-4,6H2,1H3
InChIKeyAGKVMQFPXPBZKS-UHFFFAOYSA-N
MW337.16 g/mol
LogP0.21
Rot. Bonds6

About 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one

3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one (PubChem CID 66309276) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one
PubChem CID66309276
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one
SMILESCCCNCC(O)Cn1cncc(I)c1=O
InChIInChI=1S/C10H16IN3O2/c1-2-3-12-4-8(15)6-14-7-13-5-9(11)10(14)16/h5,7-8,12,15H,2-4,6H2,1H3
InChIKeyAGKVMQFPXPBZKS-UHFFFAOYSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
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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Related Compounds

3-[3-(Ethylamino)-2-hydroxypropyl]pyrimidin-4-one
CID 63768141
3-[2-Hydroxy-3-(methylamino)propyl]pyrimidin-4-one
CID 63768142
3-[2-Hydroxy-3-(propylamino)propyl]pyrimidin-4-one
CID 63768143
3-(3-Amino-2-hydroxypropyl)pyrimidin-4-one
CID 63768319
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one
CID 63768320
3-[3-(Cyclopropylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
CID 66308634
3-[2-Hydroxy-3-(methylamino)propyl]-5-iodopyrimidin-4-one
CID 66308842
3-(2-Hydroxypropyl)-5-iodopyrimidin-4-one
CID 66308856
3-(3-Amino-2-hydroxypropyl)-5-iodopyrimidin-4-one
CID 66309058
3-[3-(Ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
CID 66309061
N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309099
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-5-iodopyrimidin-4-one
CID 66309277

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one (CID 66309276) is 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one is CCCNCC(O)Cn1cncc(I)c1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one?
The InChIKey is AGKVMQFPXPBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-2-3-12-4-8(15)6-14-7-13-5-9(11)10(14)16/h5,7-8,12,15H,2-4,6H2,1H3.
What are the key properties of 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one?
3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one has a molecular weight of 337.16 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66309276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).