1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol

C20H27FN4O2 — CID 90310904

IUPAC1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C20H27FN4O2/c1-12(2)23-8-14(26)11-27-20-15(13-4-3-5-13)6-7-16(19(20)21)17-9-25-18(22)10-24-17/h6-7,9-10,12-14,23,26H,3-5,8,11H2,1-2H3,(H2,22,25)
InChIKeyIFQNGQJMZUVKDY-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.87
Rot. Bonds8

About 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 90310904) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID90310904
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C20H27FN4O2/c1-12(2)23-8-14(26)11-27-20-15(13-4-3-5-13)6-7-16(19(20)21)17-9-25-18(22)10-24-17/h6-7,9-10,12-14,23,26H,3-5,8,11H2,1-2H3,(H2,22,25)
InChIKeyIFQNGQJMZUVKDY-UHFFFAOYSA-N
XLogP2.87
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 90310904) is 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F.
What is the InChIKey of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is IFQNGQJMZUVKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-12(2)23-8-14(26)11-27-20-15(13-4-3-5-13)6-7-16(19(20)21)17-9-25-18(22)10-24-17/h6-7,9-10,12-14,23,26H,3-5,8,11H2,1-2H3,(H2,22,25).
What are the key properties of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 374.46 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 90310904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).