1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C22H27FN4O2 — CID 134075908

IUPAC1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCc1nc(N2CCOCC2)nc2c1COCC21CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H27FN4O2/c1-16-19-13-29-15-22(20(19)25-21(24-16)27-8-10-28-11-9-27)6-7-26(14-22)12-17-2-4-18(23)5-3-17/h2-5H,6-15H2,1H3
InChIKeyLQWUKRYQYSLZHQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.43
Rot. Bonds3

About 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 134075908) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID134075908
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCc1nc(N2CCOCC2)nc2c1COCC21CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H27FN4O2/c1-16-19-13-29-15-22(20(19)25-21(24-16)27-8-10-28-11-9-27)6-7-26(14-22)12-17-2-4-18(23)5-3-17/h2-5H,6-15H2,1H3
InChIKeyLQWUKRYQYSLZHQ-UHFFFAOYSA-N
XLogP2.43
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 134075908) is 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is Cc1nc(N2CCOCC2)nc2c1COCC21CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is LQWUKRYQYSLZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-16-19-13-29-15-22(20(19)25-21(24-16)27-8-10-28-11-9-27)6-7-26(14-22)12-17-2-4-18(23)5-3-17/h2-5H,6-15H2,1H3.
What are the key properties of 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 398.48 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 134075908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).