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

C19H23N3O — CID 131647229

IUPAC1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCCN1CCC2(COCc3c(C)nc(-c4ccccc4)nc32)C1
InChIInChI=1S/C19H23N3O/c1-3-22-10-9-19(12-22)13-23-11-16-14(2)20-18(21-17(16)19)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3
InChIKeyDERQHQXROMUCQP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.95
Rot. Bonds2

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

1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 131647229) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID131647229
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCCN1CCC2(COCc3c(C)nc(-c4ccccc4)nc32)C1
InChIInChI=1S/C19H23N3O/c1-3-22-10-9-19(12-22)13-23-11-16-14(2)20-18(21-17(16)19)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3
InChIKeyDERQHQXROMUCQP-UHFFFAOYSA-N
XLogP2.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 131647229) is 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is CCN1CCC2(COCc3c(C)nc(-c4ccccc4)nc32)C1.
What is the InChIKey of 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is DERQHQXROMUCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-22-10-9-19(12-22)13-23-11-16-14(2)20-18(21-17(16)19)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3.
What are the key properties of 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 309.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 131647229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).