1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea

C19H25N5O4 — CID 91967504

IUPAC1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc(OC)c1
InChIInChI=1S/C19H25N5O4/c1-13-8-15(22-18(21-13)24-4-6-28-7-5-24)12-20-19(25)23-14-9-16(26-2)11-17(10-14)27-3/h8-11H,4-7,12H2,1-3H3,(H2,20,23,25)
InChIKeyXGADEUIGLGUILE-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.96
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea

1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea (PubChem CID 91967504) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
PubChem CID91967504
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc(OC)c1
InChIInChI=1S/C19H25N5O4/c1-13-8-15(22-18(21-13)24-4-6-28-7-5-24)12-20-19(25)23-14-9-16(26-2)11-17(10-14)27-3/h8-11H,4-7,12H2,1-3H3,(H2,20,23,25)
InChIKeyXGADEUIGLGUILE-UHFFFAOYSA-N
XLogP1.96
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352279
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
1-(4-tert-butylphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353897
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967527
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353652
1-(4-ethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352293
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966881
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 72718392
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967481
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122353733
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea (CID 91967504) is 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea is COc1cc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The InChIKey is XGADEUIGLGUILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-13-8-15(22-18(21-13)24-4-6-28-7-5-24)12-20-19(25)23-14-9-16(26-2)11-17(10-14)27-3/h8-11H,4-7,12H2,1-3H3,(H2,20,23,25).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea has a molecular weight of 387.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 91967504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).