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

C12H19N3O2 — CID 103241437

IUPAC2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-15(2)6-3-7-17-11-8-10(16)13-12(14-11)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyIKOMLCWNYUINLX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds6

About 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one (PubChem CID 103241437) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
PubChem CID103241437
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-15(2)6-3-7-17-11-8-10(16)13-12(14-11)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyIKOMLCWNYUINLX-UHFFFAOYSA-N
XLogP0.98
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.98
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

2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
4-Hydroxy-2-cyclopropyl-6-(tert-butoxy)pyrimidine
CID 20340377
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl) N,N-diethylcarbamate
CID 20351277
6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one (CID 103241437) is 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one is CN(C)CCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The InChIKey is IKOMLCWNYUINLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)6-3-7-17-11-8-10(16)13-12(14-11)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).