6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C14H19N3O3 — CID 155960634

IUPAC6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)C[C@@H]2CN(C(=O)Cc3cc(=O)[nH]c(=O)[nH]3)C[C@@H]21
InChIInChI=1S/C14H19N3O3/c1-14(2)5-8-6-17(7-10(8)14)12(19)4-9-3-11(18)16-13(20)15-9/h3,8,10H,4-7H2,1-2H3,(H2,15,16,18,20)/t8-,10+/m1/s1
InChIKeyLPXOTXMUOZEDTN-SCZZXKLOSA-N
MW277.32 g/mol
LogP0.11
Rot. Bonds2

About 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 155960634) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID155960634
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)C[C@@H]2CN(C(=O)Cc3cc(=O)[nH]c(=O)[nH]3)C[C@@H]21
InChIInChI=1S/C14H19N3O3/c1-14(2)5-8-6-17(7-10(8)14)12(19)4-9-3-11(18)16-13(20)15-9/h3,8,10H,4-7H2,1-2H3,(H2,15,16,18,20)/t8-,10+/m1/s1
InChIKeyLPXOTXMUOZEDTN-SCZZXKLOSA-N
XLogP0.11
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 155960634) is 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC1(C)C[C@@H]2CN(C(=O)Cc3cc(=O)[nH]c(=O)[nH]3)C[C@@H]21.
What is the InChIKey of 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LPXOTXMUOZEDTN-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2)5-8-6-17(7-10(8)14)12(19)4-9-3-11(18)16-13(20)15-9/h3,8,10H,4-7H2,1-2H3,(H2,15,16,18,20)/t8-,10+/m1/s1.
What are the key properties of 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155960634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).