6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione

C15H21N3O3 — CID 98068969

IUPAC6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C15H21N3O3/c1-14(2)5-9-6-15(3,7-14)8-18(9)12(20)10-4-11(19)17-13(21)16-10/h4,9H,5-8H2,1-3H3,(H2,16,17,19,21)/t9-,15+/m0/s1
InChIKeyJTBQXYCXNNECCH-BJOHPYRUSA-N
MW291.35 g/mol
LogP1.10
Rot. Bonds1

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

6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 98068969) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID98068969
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C15H21N3O3/c1-14(2)5-9-6-15(3,7-14)8-18(9)12(20)10-4-11(19)17-13(21)16-10/h4,9H,5-8H2,1-3H3,(H2,16,17,19,21)/t9-,15+/m0/s1
InChIKeyJTBQXYCXNNECCH-BJOHPYRUSA-N
XLogP1.10
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione (CID 98068969) is 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione is CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JTBQXYCXNNECCH-BJOHPYRUSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-14(2)5-9-6-15(3,7-14)8-18(9)12(20)10-4-11(19)17-13(21)16-10/h4,9H,5-8H2,1-3H3,(H2,16,17,19,21)/t9-,15+/m0/s1.
What are the key properties of 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 291.35 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 98068969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).