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

C18H23N5O — CID 118739492

IUPACN,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCN(C)c1ncc2c(n1)C1(CCN(Cc3cccnc3)C1)COC2
InChIInChI=1S/C18H23N5O/c1-22(2)17-20-9-15-11-24-13-18(16(15)21-17)5-7-23(12-18)10-14-4-3-6-19-8-14/h3-4,6,8-9H,5,7,10-13H2,1-2H3
InChIKeyBXNWXUQAPKCJLB-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.61
Rot. Bonds3

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

N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 118739492) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID118739492
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCN(C)c1ncc2c(n1)C1(CCN(Cc3cccnc3)C1)COC2
InChIInChI=1S/C18H23N5O/c1-22(2)17-20-9-15-11-24-13-18(16(15)21-17)5-7-23(12-18)10-14-4-3-6-19-8-14/h3-4,6,8-9H,5,7,10-13H2,1-2H3
InChIKeyBXNWXUQAPKCJLB-UHFFFAOYSA-N
XLogP1.61
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 118739492) is N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is CN(C)c1ncc2c(n1)C1(CCN(Cc3cccnc3)C1)COC2.
What is the InChIKey of N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is BXNWXUQAPKCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22(2)17-20-9-15-11-24-13-18(16(15)21-17)5-7-23(12-18)10-14-4-3-6-19-8-14/h3-4,6,8-9H,5,7,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 325.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 118739492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).