4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one

C13H19N3O — CID 136957866

IUPAC4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CC2CCC1C2)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H19N3O/c1-16(12-6-13(17)15-8-14-12)7-11-5-9-2-3-10(11)4-9/h6,8-11H,2-5,7H2,1H3,(H,14,15,17)
InChIKeyQFMWILBWPSGGCH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.64
Rot. Bonds3

About 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957866) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136957866
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CC2CCC1C2)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H19N3O/c1-16(12-6-13(17)15-8-14-12)7-11-5-9-2-3-10(11)4-9/h6,8-11H,2-5,7H2,1H3,(H,14,15,17)
InChIKeyQFMWILBWPSGGCH-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one (CID 136957866) is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one is CN(CC1CC2CCC1C2)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QFMWILBWPSGGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(12-6-13(17)15-8-14-12)7-11-5-9-2-3-10(11)4-9/h6,8-11H,2-5,7H2,1H3,(H,14,15,17).
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one?
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).