1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea

C18H23N5O3 — CID 91966791

IUPAC1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea
SMILESCCOc1ccccc1NC(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C18H23N5O3/c1-2-26-15-6-4-3-5-14(15)21-18(24)20-13-16-19-8-7-17(22-16)23-9-11-25-12-10-23/h3-8H,2,9-13H2,1H3,(H2,20,21,24)
InChIKeyGKEXHHDVBSHMKU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.03
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea

1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea (PubChem CID 91966791) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea
PubChem CID91966791
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea
SMILESCCOc1ccccc1NC(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C18H23N5O3/c1-2-26-15-6-4-3-5-14(15)21-18(24)20-13-16-19-8-7-17(22-16)23-9-11-25-12-10-23/h3-8H,2,9-13H2,1H3,(H2,20,21,24)
InChIKeyGKEXHHDVBSHMKU-UHFFFAOYSA-N
XLogP2.03
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122318452
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
CID 72718115
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353603
N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426976
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide
CID 50843694

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea (CID 91966791) is 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea is CCOc1ccccc1NC(=O)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The InChIKey is GKEXHHDVBSHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-26-15-6-4-3-5-14(15)21-18(24)20-13-16-19-8-7-17(22-16)23-9-11-25-12-10-23/h3-8H,2,9-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea has a molecular weight of 357.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 91966791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).