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

C21H25FN4O — CID 97401488

IUPAC(8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESFc1ccccc1CN1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1
InChIInChI=1S/C21H25FN4O/c22-18-4-2-1-3-16(18)11-26-8-7-21(13-26)14-27-12-17-10-24-20(25-19(17)21)23-9-15-5-6-15/h1-4,10,15H,5-9,11-14H2,(H,23,24,25)/t21-/m1/s1
InChIKeyMWXNNFWRVRZDAQ-OAQYLSRUSA-N
MW368.46 g/mol
LogP3.11
Rot. Bonds5

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

(8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 97401488) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound Name(8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID97401488
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name(8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESFc1ccccc1CN1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1
InChIInChI=1S/C21H25FN4O/c22-18-4-2-1-3-16(18)11-26-8-7-21(13-26)14-27-12-17-10-24-20(25-19(17)21)23-9-15-5-6-15/h1-4,10,15H,5-9,11-14H2,(H,23,24,25)/t21-/m1/s1
InChIKeyMWXNNFWRVRZDAQ-OAQYLSRUSA-N
XLogP3.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 97401488) is (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is Fc1ccccc1CN1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1.
What is the InChIKey of (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is MWXNNFWRVRZDAQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-18-4-2-1-3-16(18)11-26-8-7-21(13-26)14-27-12-17-10-24-20(25-19(17)21)23-9-15-5-6-15/h1-4,10,15H,5-9,11-14H2,(H,23,24,25)/t21-/m1/s1.
What are the key properties of (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
(8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 368.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 97401488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).