1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea

C18H20N6O3 — CID 23646826

IUPAC1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCOc1cc(CN2CCOCC2)ccc1NC(=O)Nc1cnc(C#N)cn1
InChIInChI=1S/C18H20N6O3/c1-26-16-8-13(12-24-4-6-27-7-5-24)2-3-15(16)22-18(25)23-17-11-20-14(9-19)10-21-17/h2-3,8,10-11H,4-7,12H2,1H3,(H2,21,22,23,25)
InChIKeyHIEFBDYYEDXSII-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.83
Rot. Bonds5

About 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea

1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 23646826) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID23646826
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCOc1cc(CN2CCOCC2)ccc1NC(=O)Nc1cnc(C#N)cn1
InChIInChI=1S/C18H20N6O3/c1-26-16-8-13(12-24-4-6-27-7-5-24)2-3-15(16)22-18(25)23-17-11-20-14(9-19)10-21-17/h2-3,8,10-11H,4-7,12H2,1H3,(H2,21,22,23,25)
InChIKeyHIEFBDYYEDXSII-UHFFFAOYSA-N
XLogP1.83
TPSA112.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea (CID 23646826) is 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea is COc1cc(CN2CCOCC2)ccc1NC(=O)Nc1cnc(C#N)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is HIEFBDYYEDXSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-26-16-8-13(12-24-4-6-27-7-5-24)2-3-15(16)22-18(25)23-17-11-20-14(9-19)10-21-17/h2-3,8,10-11H,4-7,12H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea?
1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 368.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 23646826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).