N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine

C14H21N5O — CID 80844191

IUPACN-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine
SMILESCCNc1cn2ccnc2c(N2CCC(COC)C2)n1
InChIInChI=1S/C14H21N5O/c1-3-15-12-9-19-7-5-16-13(19)14(17-12)18-6-4-11(8-18)10-20-2/h5,7,9,11,15H,3-4,6,8,10H2,1-2H3
InChIKeyNTDRGWKNPNQRFF-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.63
Rot. Bonds5

About N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine

N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80844191) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine
PubChem CID80844191
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine
SMILESCCNc1cn2ccnc2c(N2CCC(COC)C2)n1
InChIInChI=1S/C14H21N5O/c1-3-15-12-9-19-7-5-16-13(19)14(17-12)18-6-4-11(8-18)10-20-2/h5,7,9,11,15H,3-4,6,8,10H2,1-2H3
InChIKeyNTDRGWKNPNQRFF-UHFFFAOYSA-N
XLogP1.63
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine (CID 80844191) is N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine is CCNc1cn2ccnc2c(N2CCC(COC)C2)n1.
What is the InChIKey of N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is NTDRGWKNPNQRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-15-12-9-19-7-5-16-13(19)14(17-12)18-6-4-11(8-18)10-20-2/h5,7,9,11,15H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine?
N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 275.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80844191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).