1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]

C19H23N3O — CID 20591075

IUPAC1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCc1ncc(C)c(N2CCC3(CCc4ccccc4O3)CC2)n1
InChIInChI=1S/C19H23N3O/c1-14-13-20-15(2)21-18(14)22-11-9-19(10-12-22)8-7-16-5-3-4-6-17(16)23-19/h3-6,13H,7-12H2,1-2H3
InChIKeyTYOPLDDUPAHFJU-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.46
Rot. Bonds1

About 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 20591075) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID20591075
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCc1ncc(C)c(N2CCC3(CCc4ccccc4O3)CC2)n1
InChIInChI=1S/C19H23N3O/c1-14-13-20-15(2)21-18(14)22-11-9-19(10-12-22)8-7-16-5-3-4-6-17(16)23-19/h3-6,13H,7-12H2,1-2H3
InChIKeyTYOPLDDUPAHFJU-UHFFFAOYSA-N
XLogP3.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 20591075) is 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] is Cc1ncc(C)c(N2CCC3(CCc4ccccc4O3)CC2)n1.
What is the InChIKey of 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is TYOPLDDUPAHFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-13-20-15(2)21-18(14)22-11-9-19(10-12-22)8-7-16-5-3-4-6-17(16)23-19/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 309.41 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,5-dimethylpyrimidin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 20591075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).