3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one

C14H20N2O2 — CID 79551055

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CC2CCC1C2
InChIInChI=1S/C14H20N2O2/c1-9-5-13(17)16(14(15-9)18-2)8-12-7-10-3-4-11(12)6-10/h5,10-12H,3-4,6-8H2,1-2H3
InChIKeyKDDYUXAJIIAUGK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one

3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79551055) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79551055
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CC2CCC1C2
InChIInChI=1S/C14H20N2O2/c1-9-5-13(17)16(14(15-9)18-2)8-12-7-10-3-4-11(12)6-10/h5,10-12H,3-4,6-8H2,1-2H3
InChIKeyKDDYUXAJIIAUGK-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one (CID 79551055) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is KDDYUXAJIIAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-13(17)16(14(15-9)18-2)8-12-7-10-3-4-11(12)6-10/h5,10-12H,3-4,6-8H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79551055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).