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

C17H26N4O2 — CID 134075872

IUPACN-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCOCCN1CCC2(COCc3cnc(NCC4CC4)nc32)C1
InChIInChI=1S/C17H26N4O2/c1-22-7-6-21-5-4-17(11-21)12-23-10-14-9-19-16(20-15(14)17)18-8-13-2-3-13/h9,13H,2-8,10-12H2,1H3,(H,18,19,20)
InChIKeyRJUXWFWEOBZBHB-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.42
Rot. Bonds6

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

N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 134075872) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID134075872
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCOCCN1CCC2(COCc3cnc(NCC4CC4)nc32)C1
InChIInChI=1S/C17H26N4O2/c1-22-7-6-21-5-4-17(11-21)12-23-10-14-9-19-16(20-15(14)17)18-8-13-2-3-13/h9,13H,2-8,10-12H2,1H3,(H,18,19,20)
InChIKeyRJUXWFWEOBZBHB-UHFFFAOYSA-N
XLogP1.42
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131641129
1-[(8R)-2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]ethanone
CID 97401493
N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131663736
2-(cyclopropylmethylamino)-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 134075875
(5-methyl-1H-pyrazol-3-yl)-[2-(oxan-4-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone
CID 155848085
N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118741188
1'-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131640517
1-[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone
CID 118739280
N-(furan-2-ylmethyl)-1'-[(3-methylphenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131656961
N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 155847705
1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155859921
1'-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];hydrochloride
CID 155831481

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 134075872) is N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is COCCN1CCC2(COCc3cnc(NCC4CC4)nc32)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is RJUXWFWEOBZBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-22-7-6-21-5-4-17(11-21)12-23-10-14-9-19-16(20-15(14)17)18-8-13-2-3-13/h9,13H,2-8,10-12H2,1H3,(H,18,19,20).
What are the key properties of N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 318.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 134075872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).