N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine

C25H38N4O4 — CID 91498775

IUPACN-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine
SMILESCOCC(COC)Nc1nc(C)c(-c2c(C)cc(C)cc2OCCN2CCOCC2)nc1C
InChIInChI=1S/C25H38N4O4/c1-17-13-18(2)23(22(14-17)33-12-9-29-7-10-32-11-8-29)24-19(3)27-25(20(4)26-24)28-21(15-30-5)16-31-6/h13-14,21H,7-12,15-16H2,1-6H3,(H,27,28)
InChIKeyPGAWOVMGBLIBPM-UHFFFAOYSA-N
MW458.60 g/mol
LogP3.16
Rot. Bonds11

About N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine

N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 91498775) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine
PubChem CID91498775
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC NameN-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine
SMILESCOCC(COC)Nc1nc(C)c(-c2c(C)cc(C)cc2OCCN2CCOCC2)nc1C
InChIInChI=1S/C25H38N4O4/c1-17-13-18(2)23(22(14-17)33-12-9-29-7-10-32-11-8-29)24-19(3)27-25(20(4)26-24)28-21(15-30-5)16-31-6/h13-14,21H,7-12,15-16H2,1-6H3,(H,27,28)
InChIKeyPGAWOVMGBLIBPM-UHFFFAOYSA-N
XLogP3.16
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine (CID 91498775) is N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine is COCC(COC)Nc1nc(C)c(-c2c(C)cc(C)cc2OCCN2CCOCC2)nc1C.
What is the InChIKey of N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is PGAWOVMGBLIBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4/c1-17-13-18(2)23(22(14-17)33-12-9-29-7-10-32-11-8-29)24-19(3)27-25(20(4)26-24)28-21(15-30-5)16-31-6/h13-14,21H,7-12,15-16H2,1-6H3,(H,27,28).
What are the key properties of N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine?
N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 458.60 g/mol, XLogP of 3.16, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethoxypropan-2-yl)-5-[2,4-dimethyl-6-(2-morpholin-4-ylethoxy)phenyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 91498775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).