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

C9H15N3O2 — CID 107506246

IUPAC3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one
SMILESCNC(COC)Cn1cnccc1=O
InChIInChI=1S/C9H15N3O2/c1-10-8(6-14-2)5-12-7-11-4-3-9(12)13/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyBFJJISRIDMSQBB-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.52
Rot. Bonds5

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

3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one (PubChem CID 107506246) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one
PubChem CID107506246
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one
SMILESCNC(COC)Cn1cnccc1=O
InChIInChI=1S/C9H15N3O2/c1-10-8(6-14-2)5-12-7-11-4-3-9(12)13/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyBFJJISRIDMSQBB-UHFFFAOYSA-N
XLogP-0.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-Oxazepan-2-yl)pyrimidin-4-one
CID 67283089
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-(1-Methoxypropan-2-ylamino)ethyl]-6-methylpyrimidin-4-one
CID 62563257
3-[2-(Methylamino)propyl]pyrimidin-4-one
CID 63767943
3-[2-(Propylamino)butyl]pyrimidin-4-one
CID 63767948
3-(2-Aminobutyl)pyrimidin-4-one
CID 63768131
3-[2-(Ethylamino)propyl]pyrimidin-4-one
CID 63768483
3-[2-(Propylamino)ethyl]pyrimidin-4-one
CID 63768485
3-[3-(2-Methoxyethylamino)propyl]pyrimidin-4-one
CID 63768489
3-(2-Aminopropyl)pyrimidin-4-one
CID 63768829
3-[2-(Propylamino)propyl]pyrimidin-4-one
CID 63769519

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one?
The IUPAC name of 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one (CID 107506246) is 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one is CNC(COC)Cn1cnccc1=O.
What is the InChIKey of 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one?
The InChIKey is BFJJISRIDMSQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-8(6-14-2)5-12-7-11-4-3-9(12)13/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one?
3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of -0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-(methylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 107506246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).