7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide

C14H20N4O2 — CID 114945201

IUPAC7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1(C)C2OCCCC2C1(N)C(=O)Nc1ncccn1
InChIInChI=1S/C14H20N4O2/c1-13(2)10-9(5-3-8-20-10)14(13,15)11(19)18-12-16-6-4-7-17-12/h4,6-7,9-10H,3,5,8,15H2,1-2H3,(H,16,17,18,19)
InChIKeyLOVYGENKPJPPLU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.95
Rot. Bonds2

About 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114945201) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114945201
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1(C)C2OCCCC2C1(N)C(=O)Nc1ncccn1
InChIInChI=1S/C14H20N4O2/c1-13(2)10-9(5-3-8-20-10)14(13,15)11(19)18-12-16-6-4-7-17-12/h4,6-7,9-10H,3,5,8,15H2,1-2H3,(H,16,17,18,19)
InChIKeyLOVYGENKPJPPLU-UHFFFAOYSA-N
XLogP0.95
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945058
7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946084
7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946068
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945769
7-amino-8,8-dimethyl-N-(2-methylbut-3-yn-2-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946117
7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106397626
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
6-amino-N-(2,6-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945252
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946248
6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 104985291
7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114945201) is 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide is CC1(C)C2OCCCC2C1(N)C(=O)Nc1ncccn1.
What is the InChIKey of 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is LOVYGENKPJPPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-13(2)10-9(5-3-8-20-10)14(13,15)11(19)18-12-16-6-4-7-17-12/h4,6-7,9-10H,3,5,8,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114945201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).