1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine

C21H26N4O — CID 118739530

IUPAC1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESc1ccc(CN2CCC3(COCc4cnc(NCC5CC5)nc43)C2)cc1
InChIInChI=1S/C21H26N4O/c1-2-4-17(5-3-1)12-25-9-8-21(14-25)15-26-13-18-11-23-20(24-19(18)21)22-10-16-6-7-16/h1-5,11,16H,6-10,12-15H2,(H,22,23,24)
InChIKeyMWCYQZSDBQYXKN-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.97
Rot. Bonds5

About 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine

1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 118739530) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound Name1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID118739530
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESc1ccc(CN2CCC3(COCc4cnc(NCC5CC5)nc43)C2)cc1
InChIInChI=1S/C21H26N4O/c1-2-4-17(5-3-1)12-25-9-8-21(14-25)15-26-13-18-11-23-20(24-19(18)21)22-10-16-6-7-16/h1-5,11,16H,6-10,12-15H2,(H,22,23,24)
InChIKeyMWCYQZSDBQYXKN-UHFFFAOYSA-N
XLogP2.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 118739530) is 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is c1ccc(CN2CCC3(COCc4cnc(NCC5CC5)nc43)C2)cc1.
What is the InChIKey of 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is MWCYQZSDBQYXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-4-17(5-3-1)12-25-9-8-21(14-25)15-26-13-18-11-23-20(24-19(18)21)22-10-16-6-7-16/h1-5,11,16H,6-10,12-15H2,(H,22,23,24).
What are the key properties of 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 350.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 118739530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).