N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide

C16H23N5O2 — CID 124804609

IUPACN,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide
SMILESC[C@H]1CN(c2ncccn2)C[C@@]12CCN(CC(=O)N(C)C)C2=O
InChIInChI=1S/C16H23N5O2/c1-12-9-21(15-17-6-4-7-18-15)11-16(12)5-8-20(14(16)23)10-13(22)19(2)3/h4,6-7,12H,5,8-11H2,1-3H3/t12-,16-/m0/s1
InChIKeyIMGAFEUPFGSXPQ-LRDDRELGSA-N
MW317.39 g/mol
LogP0.24
Rot. Bonds3

About N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide

N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide (PubChem CID 124804609) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide
PubChem CID124804609
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide
SMILESC[C@H]1CN(c2ncccn2)C[C@@]12CCN(CC(=O)N(C)C)C2=O
InChIInChI=1S/C16H23N5O2/c1-12-9-21(15-17-6-4-7-18-15)11-16(12)5-8-20(14(16)23)10-13(22)19(2)3/h4,6-7,12H,5,8-11H2,1-3H3/t12-,16-/m0/s1
InChIKeyIMGAFEUPFGSXPQ-LRDDRELGSA-N
XLogP0.24
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide (CID 124804609) is N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide is C[C@H]1CN(c2ncccn2)C[C@@]12CCN(CC(=O)N(C)C)C2=O.
What is the InChIKey of N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide?
The InChIKey is IMGAFEUPFGSXPQ-LRDDRELGSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-9-21(15-17-6-4-7-18-15)11-16(12)5-8-20(14(16)23)10-13(22)19(2)3/h4,6-7,12H,5,8-11H2,1-3H3/t12-,16-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide?
N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5R,9R)-9-methyl-1-oxo-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-2-yl]acetamide is sourced from PubChem (CID 124804609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).