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

C19H23FN4O — CID 118743615

IUPAC1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCN(C)c1ncc2c(n1)C1(CCN(Cc3ccccc3F)C1)COC2
InChIInChI=1S/C19H23FN4O/c1-23(2)18-21-9-15-11-25-13-19(17(15)22-18)7-8-24(12-19)10-14-5-3-4-6-16(14)20/h3-6,9H,7-8,10-13H2,1-2H3
InChIKeyDGQRDCVVRUPPKW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.36
Rot. Bonds3

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

1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 118743615) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound Name1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID118743615
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCN(C)c1ncc2c(n1)C1(CCN(Cc3ccccc3F)C1)COC2
InChIInChI=1S/C19H23FN4O/c1-23(2)18-21-9-15-11-25-13-19(17(15)22-18)7-8-24(12-19)10-14-5-3-4-6-16(14)20/h3-6,9H,7-8,10-13H2,1-2H3
InChIKeyDGQRDCVVRUPPKW-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2-Methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118745394
N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131656543
(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine
CID 97507059
2-Phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739470
2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 118739472
Cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
CID 118739473
2-Methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118739474
2-Cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118739475
1'-Methylsulfonyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739476
N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118739492
1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118739530
N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
CID 118739753

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 118743615) is 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is CN(C)c1ncc2c(n1)C1(CCN(Cc3ccccc3F)C1)COC2.
What is the InChIKey of 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is DGQRDCVVRUPPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-23(2)18-21-9-15-11-25-13-19(17(15)22-18)7-8-24(12-19)10-14-5-3-4-6-16(14)20/h3-6,9H,7-8,10-13H2,1-2H3.
What are the key properties of 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 342.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 118743615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).