1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C17H19N3O — CID 118743565

IUPAC1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCN1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C17H19N3O/c1-20-8-7-17(11-20)12-21-10-14-9-18-16(19-15(14)17)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12H2,1H3
InChIKeyYLCQPSWLMCIPQB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.25
Rot. Bonds1

About 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118743565) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118743565
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCN1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C17H19N3O/c1-20-8-7-17(11-20)12-21-10-14-9-18-16(19-15(14)17)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12H2,1H3
InChIKeyYLCQPSWLMCIPQB-UHFFFAOYSA-N
XLogP2.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118743565) is 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is CN1CCC2(COCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is YLCQPSWLMCIPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20-8-7-17(11-20)12-21-10-14-9-18-16(19-15(14)17)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12H2,1H3.
What are the key properties of 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 281.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118743565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).