5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione

C14H21N3O2 — CID 975009

IUPAC5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)C[C@H]2C[C@](C)(CN2c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H21N3O2/c1-13(2)4-9-5-14(3,7-13)8-17(9)10-6-15-12(19)16-11(10)18/h6,9H,4-5,7-8H2,1-3H3,(H2,15,16,18,19)/t9-,14-/m0/s1
InChIKeyFLIFQDBYOBOTPI-XPTSAGLGSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds1

About 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione

5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 975009) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID975009
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)C[C@H]2C[C@](C)(CN2c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H21N3O2/c1-13(2)4-9-5-14(3,7-13)8-17(9)10-6-15-12(19)16-11(10)18/h6,9H,4-5,7-8H2,1-3H3,(H2,15,16,18,19)/t9-,14-/m0/s1
InChIKeyFLIFQDBYOBOTPI-XPTSAGLGSA-N
XLogP1.47
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

rac-(1S,5R)-N-(2-hydroxypyridin-3-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 118788846
5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-2,4(1H,3H)-pyrimidinedione
CID 2946318
5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 3154244
6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 4976612
5-[(2S)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 1085047
5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 1085048
6-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione
CID 1508807
6-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione
CID 1508808
5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione
CID 6546994
5-(1,3-dimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidine-2,4-dione;ethane
CID 20103476
5-(1,3-dimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidine-2,4-dione
CID 20103477
5-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione
CID 50898164

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione (CID 975009) is 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione is CC1(C)C[C@H]2C[C@](C)(CN2c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is FLIFQDBYOBOTPI-XPTSAGLGSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-13(2)4-9-5-14(3,7-13)8-17(9)10-6-15-12(19)16-11(10)18/h6,9H,4-5,7-8H2,1-3H3,(H2,15,16,18,19)/t9-,14-/m0/s1.
What are the key properties of 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione?
5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 263.34 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 975009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).