2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide

C18H23N5O3 — CID 118739076

IUPAC2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCNC(=O)N1CCC2(COCc3c(C)nc(NCc4ccco4)nc32)C1
InChIInChI=1S/C18H23N5O3/c1-12-14-9-25-11-18(5-6-23(10-18)17(24)19-2)15(14)22-16(21-12)20-8-13-4-3-7-26-13/h3-4,7H,5-6,8-11H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyJMKQSGAAMBKAMV-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.80
Rot. Bonds3

About 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide

2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (PubChem CID 118739076) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
PubChem CID118739076
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCNC(=O)N1CCC2(COCc3c(C)nc(NCc4ccco4)nc32)C1
InChIInChI=1S/C18H23N5O3/c1-12-14-9-25-11-18(5-6-23(10-18)17(24)19-2)15(14)22-16(21-12)20-8-13-4-3-7-26-13/h3-4,7H,5-6,8-11H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyJMKQSGAAMBKAMV-UHFFFAOYSA-N
XLogP1.80
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
CID 131662281
1-[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone
CID 118739280
1-[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one
CID 131659487
N-(furan-2-ylmethyl)-1'-[(3-methylphenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131656961
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 126435745
N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 131659322
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915320
(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 70706286
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
(5R)-N-(furan-2-ylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 97273108
(5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97455348

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (CID 118739076) is 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is CNC(=O)N1CCC2(COCc3c(C)nc(NCc4ccco4)nc32)C1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is JMKQSGAAMBKAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-14-9-25-11-18(5-6-23(10-18)17(24)19-2)15(14)22-16(21-12)20-8-13-4-3-7-26-13/h3-4,7H,5-6,8-11H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 118739076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).