4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine

C17H19N5O — CID 128560073

IUPAC4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine
SMILESc1cnc(-c2ccnc(NC3C4CCOC4C34CCC4)n2)cn1
InChIInChI=1S/C17H19N5O/c1-4-17(5-1)14(11-3-9-23-15(11)17)22-16-20-6-2-12(21-16)13-10-18-7-8-19-13/h2,6-8,10-11,14-15H,1,3-5,9H2,(H,20,21,22)
InChIKeyIJMRFACVRIKGHQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.30
Rot. Bonds3

About 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine

4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine (PubChem CID 128560073) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine
PubChem CID128560073
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine
SMILESc1cnc(-c2ccnc(NC3C4CCOC4C34CCC4)n2)cn1
InChIInChI=1S/C17H19N5O/c1-4-17(5-1)14(11-3-9-23-15(11)17)22-16-20-6-2-12(21-16)13-10-18-7-8-19-13/h2,6-8,10-11,14-15H,1,3-5,9H2,(H,20,21,22)
InChIKeyIJMRFACVRIKGHQ-UHFFFAOYSA-N
XLogP2.30
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559946
N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559210
N-(2-bicyclo[2.2.1]heptanyl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559417
N-(2-phenylcyclopentyl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 154841280
2-N,2-N-dimethyl-1-N-[(1S,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]benzene-1,2-diamine
CID 99777632
1-[1-(3-methoxy-4-pyridinyl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 127990160
(1R,5S,6R)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124829236
N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 154841275
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
(1S,5S,6R)-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 99851894
N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 46960466
1-(2-methylpyrazol-3-yl)-3-[(1S,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]urea
CID 99610384

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine?
The IUPAC name of 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine (CID 128560073) is 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine.
What is the SMILES notation for 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine?
The canonical SMILES for 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine is c1cnc(-c2ccnc(NC3C4CCOC4C34CCC4)n2)cn1.
What is the InChIKey of 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine?
The InChIKey is IJMRFACVRIKGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-17(5-1)14(11-3-9-23-15(11)17)22-16-20-6-2-12(21-16)13-10-18-7-8-19-13/h2,6-8,10-11,14-15H,1,3-5,9H2,(H,20,21,22).
What are the key properties of 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine?
4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine has a molecular weight of 309.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidin-2-amine is sourced from PubChem (CID 128560073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).