2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile

C9H11N3O2 — CID 116734522

IUPAC2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCCC(OC)c1ncc(C#N)c(=O)[nH]1
InChIInChI=1S/C9H11N3O2/c1-3-7(14-2)8-11-5-6(4-10)9(13)12-8/h5,7H,3H2,1-2H3,(H,11,12,13)
InChIKeyXDDSUAMOAGAILP-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.74
Rot. Bonds3

About 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile

2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 116734522) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID116734522
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCCC(OC)c1ncc(C#N)c(=O)[nH]1
InChIInChI=1S/C9H11N3O2/c1-3-7(14-2)8-11-5-6(4-10)9(13)12-8/h5,7H,3H2,1-2H3,(H,11,12,13)
InChIKeyXDDSUAMOAGAILP-UHFFFAOYSA-N
XLogP0.74
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carbonitrile
CID 103477019
5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 69107840
2-(Methoxymethyl)-5-methylpyrimidin-4(3H)-one
CID 71351742
2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 151093895
6-oxo-2-propyl-1H-pyrimidine-5-carbonitrile
CID 83694879
2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 102929356
2-(3-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189744
6-oxo-2-(propoxymethyl)-1H-pyrimidine-5-carbonitrile
CID 104189747
2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189748
2-(ethoxymethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189750
6-oxo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-5-carbonitrile
CID 104189754
2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189780

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 116734522) is 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile is CCC(OC)c1ncc(C#N)c(=O)[nH]1.
What is the InChIKey of 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is XDDSUAMOAGAILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-7(14-2)8-11-5-6(4-10)9(13)12-8/h5,7H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 116734522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).