4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one

C9H15N3O2 — CID 103241445

IUPAC4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-12(2)4-3-5-14-9-6-8(13)10-7-11-9/h6-7H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyBKOOCFOGGROHEK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.10
Rot. Bonds5

About 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one

4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one (PubChem CID 103241445) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
PubChem CID103241445
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-12(2)4-3-5-14-9-6-8(13)10-7-11-9/h6-7H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyBKOOCFOGGROHEK-UHFFFAOYSA-N
XLogP0.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240436
4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240458
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589
4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240667
4-propan-2-yloxy-1H-pyrimidin-6-one
CID 103240689

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one (CID 103241445) is 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one is CN(C)CCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The InChIKey is BKOOCFOGGROHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12(2)4-3-5-14-9-6-8(13)10-7-11-9/h6-7H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).