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

C10H11N3O2 — CID 116734520

IUPAC2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOC1(c2ncc(C#N)c(=O)[nH]2)CCC1
InChIInChI=1S/C10H11N3O2/c1-15-10(3-2-4-10)9-12-6-7(5-11)8(14)13-9/h6H,2-4H2,1H3,(H,12,13,14)
InChIKeyRCDFSGSYTIZLCD-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.67
Rot. Bonds2

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

2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 116734520) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID116734520
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOC1(c2ncc(C#N)c(=O)[nH]2)CCC1
InChIInChI=1S/C10H11N3O2/c1-15-10(3-2-4-10)9-12-6-7(5-11)8(14)13-9/h6H,2-4H2,1H3,(H,12,13,14)
InChIKeyRCDFSGSYTIZLCD-UHFFFAOYSA-N
XLogP0.67
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyloxolan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189773
2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189786
2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189840
2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104612125
2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563471
2-(1-ethoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563472
2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206260
2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705562
5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705907
5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705919
2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 116734521
2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 116734522

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 116734520) is 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile is COC1(c2ncc(C#N)c(=O)[nH]2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is RCDFSGSYTIZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-10(3-2-4-10)9-12-6-7(5-11)8(14)13-9/h6H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 205.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 116734520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).