3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one

C11H19N3O2 — CID 107506249

IUPAC3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNC(COC)Cn1cnccc1=O
InChIInChI=1S/C11H19N3O2/c1-3-5-13-10(8-16-2)7-14-9-12-6-4-11(14)15/h4,6,9-10,13H,3,5,7-8H2,1-2H3
InChIKeyKNFPNPXNWRAVGF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.26
Rot. Bonds7

About 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one

3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one (PubChem CID 107506249) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one
PubChem CID107506249
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNC(COC)Cn1cnccc1=O
InChIInChI=1S/C11H19N3O2/c1-3-5-13-10(8-16-2)7-14-9-12-6-4-11(14)15/h4,6,9-10,13H,3,5,7-8H2,1-2H3
InChIKeyKNFPNPXNWRAVGF-UHFFFAOYSA-N
XLogP0.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8Z)-3-butan-2-yl-5,6-dihydro-4H-1,3,6-triazonin-7-one
CID 58616691
3-(1,4-Oxazepan-2-yl)pyrimidin-4-one
CID 67283089
3-butan-2-yl-5,6-dihydro-4H-1,3,6-triazonin-7-one
CID 76839460
5-(1,3-Dimethoxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 140038027
3-[2-(3-Propan-2-yloxypropylamino)ethyl]pyrimidin-4-one
CID 55236851
3-[2-(4-Ethoxybutylamino)ethyl]pyrimidin-4-one
CID 55237045
3-[2-(1-Methoxypropan-2-ylamino)ethyl]-6-methylpyrimidin-4-one
CID 62563257
3-[2-(2-Ethoxyethylamino)ethyl]-6-methylpyrimidin-4-one
CID 62564460
3-[2-(2-Methoxyethylamino)ethyl]-6-methylpyrimidin-4-one
CID 62564623
3-[2-(Methylamino)propyl]pyrimidin-4-one
CID 63767943
3-[2-(Propylamino)butyl]pyrimidin-4-one
CID 63767948
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one
CID 63768320

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one?
The IUPAC name of 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one (CID 107506249) is 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one is CCCNC(COC)Cn1cnccc1=O.
What is the InChIKey of 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one?
The InChIKey is KNFPNPXNWRAVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-13-10(8-16-2)7-14-9-12-6-4-11(14)15/h4,6,9-10,13H,3,5,7-8H2,1-2H3.
What are the key properties of 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one?
3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one has a molecular weight of 225.29 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-(propylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 107506249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).