2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one

C19H30N4O2 — CID 137256740

IUPAC2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1c(C)nc(CC)[nH]c1=O)C2
InChIInChI=1S/C19H30N4O2/c1-4-8-22-10-14-6-7-15(22)12-23(11-14)18(24)9-16-13(3)20-17(5-2)21-19(16)25/h14-15H,4-12H2,1-3H3,(H,20,21,25)/t14-,15-/m0/s1
InChIKeyMZBCXRMPGZQBGC-GJZGRUSLSA-N
MW346.48 g/mol
LogP1.52
Rot. Bonds5

About 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one

2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137256740) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137256740
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1c(C)nc(CC)[nH]c1=O)C2
InChIInChI=1S/C19H30N4O2/c1-4-8-22-10-14-6-7-15(22)12-23(11-14)18(24)9-16-13(3)20-17(5-2)21-19(16)25/h14-15H,4-12H2,1-3H3,(H,20,21,25)/t14-,15-/m0/s1
InChIKeyMZBCXRMPGZQBGC-GJZGRUSLSA-N
XLogP1.52
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one (CID 137256740) is 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one is CCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1c(C)nc(CC)[nH]c1=O)C2.
What is the InChIKey of 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is MZBCXRMPGZQBGC-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-8-22-10-14-6-7-15(22)12-23(11-14)18(24)9-16-13(3)20-17(5-2)21-19(16)25/h14-15H,4-12H2,1-3H3,(H,20,21,25)/t14-,15-/m0/s1.
What are the key properties of 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one?
2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 346.48 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-[2-oxo-2-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137256740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).