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

C18H23N5O4 — CID 122353603

IUPAC1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1OC
InChIInChI=1S/C18H23N5O4/c1-25-15-5-3-4-14(16(15)26-2)22-18(24)20-12-13-6-7-19-17(21-13)23-8-10-27-11-9-23/h3-7H,8-12H2,1-2H3,(H2,20,22,24)
InChIKeyJYEPXIXKAYNCMD-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.65
Rot. Bonds6

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

1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea (PubChem CID 122353603) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
PubChem CID122353603
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1OC
InChIInChI=1S/C18H23N5O4/c1-25-15-5-3-4-14(16(15)26-2)22-18(24)20-12-13-6-7-19-17(21-13)23-8-10-27-11-9-23/h3-7H,8-12H2,1-2H3,(H2,20,22,24)
InChIKeyJYEPXIXKAYNCMD-UHFFFAOYSA-N
XLogP1.65
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391
1-(2,3-dimethylphenyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967166
1-(2-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967285
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966791
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353652
N-(2,3-dimethoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343981
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122353494

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea (CID 122353603) is 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea is COc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The InChIKey is JYEPXIXKAYNCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-25-15-5-3-4-14(16(15)26-2)22-18(24)20-12-13-6-7-19-17(21-13)23-8-10-27-11-9-23/h3-7H,8-12H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea has a molecular weight of 373.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 122353603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).