2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile

C10H11N3O2 — CID 116734526

IUPAC2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOC(c1ncc(C#N)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H11N3O2/c1-15-8(6-2-3-6)9-12-5-7(4-11)10(14)13-9/h5-6,8H,2-3H2,1H3,(H,12,13,14)
InChIKeyWYTFVWYAZPGGHE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.74
Rot. Bonds3

About 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile

2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 116734526) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID116734526
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOC(c1ncc(C#N)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H11N3O2/c1-15-8(6-2-3-6)9-12-5-7(4-11)10(14)13-9/h5-6,8H,2-3H2,1H3,(H,12,13,14)
InChIKeyWYTFVWYAZPGGHE-UHFFFAOYSA-N
XLogP0.74
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189748
6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carbonitrile
CID 104189810
2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189891
2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189894
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
2-[cyclopropyl(methoxy)methyl]-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206278
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705561
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705569
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705683
5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705906
5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705914
2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 116705918

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile (CID 116734526) is 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile is COC(c1ncc(C#N)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is WYTFVWYAZPGGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-8(6-2-3-6)9-12-5-7(4-11)10(14)13-9/h5-6,8H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 205.22 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-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 116734526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).