1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea

C19H23N7O2 — CID 51355056

IUPAC1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(ncn3C)n2)cc1
InChIInChI=1S/C19H23N7O2/c1-3-20-19(27)22-14-6-4-13(5-7-14)16-23-17-15(25(2)12-21-17)18(24-16)26-8-10-28-11-9-26/h4-7,12H,3,8-11H2,1-2H3,(H2,20,22,27)
InChIKeyBMYYRZJOFRYFQF-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.01
Rot. Bonds4

About 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea

1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea (PubChem CID 51355056) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea
PubChem CID51355056
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(ncn3C)n2)cc1
InChIInChI=1S/C19H23N7O2/c1-3-20-19(27)22-14-6-4-13(5-7-14)16-23-17-15(25(2)12-21-17)18(24-16)26-8-10-28-11-9-26/h4-7,12H,3,8-11H2,1-2H3,(H2,20,22,27)
InChIKeyBMYYRZJOFRYFQF-UHFFFAOYSA-N
XLogP2.01
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea (CID 51355056) is 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea is CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(ncn3C)n2)cc1.
What is the InChIKey of 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea?
The InChIKey is BMYYRZJOFRYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-3-20-19(27)22-14-6-4-13(5-7-14)16-23-17-15(25(2)12-21-17)18(24-16)26-8-10-28-11-9-26/h4-7,12H,3,8-11H2,1-2H3,(H2,20,22,27).
What are the key properties of 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea?
1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea has a molecular weight of 381.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(7-methyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea is sourced from PubChem (CID 51355056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).