N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C16H24N4O2 — CID 138386129

IUPACN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H]2CCCN3CCC[C@@H]23)c(=O)[nH]1
InChIInChI=1S/C16H24N4O2/c1-10-12(16(22)18-11(2)17-10)9-15(21)19-13-5-3-7-20-8-4-6-14(13)20/h13-14H,3-9H2,1-2H3,(H,19,21)(H,17,18,22)/t13-,14-/m0/s1
InChIKeyDEMQURDYNBDILU-KBPBESRZSA-N
MW304.39 g/mol
LogP0.67
Rot. Bonds3

About N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 138386129) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID138386129
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H]2CCCN3CCC[C@@H]23)c(=O)[nH]1
InChIInChI=1S/C16H24N4O2/c1-10-12(16(22)18-11(2)17-10)9-15(21)19-13-5-3-7-20-8-4-6-14(13)20/h13-14H,3-9H2,1-2H3,(H,19,21)(H,17,18,22)/t13-,14-/m0/s1
InChIKeyDEMQURDYNBDILU-KBPBESRZSA-N
XLogP0.67
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 138386129) is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)N[C@H]2CCCN3CCC[C@@H]23)c(=O)[nH]1.
What is the InChIKey of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is DEMQURDYNBDILU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10-12(16(22)18-11(2)17-10)9-15(21)19-13-5-3-7-20-8-4-6-14(13)20/h13-14H,3-9H2,1-2H3,(H,19,21)(H,17,18,22)/t13-,14-/m0/s1.
What are the key properties of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 138386129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).