1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea

C18H23N5O3 — CID 91966881

IUPAC1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H23N5O3/c1-13-10-17(23-6-8-26-9-7-23)22-16(20-13)12-19-18(24)21-14-4-3-5-15(11-14)25-2/h3-5,10-11H,6-9,12H2,1-2H3,(H2,19,21,24)
InChIKeyFUXVVVFZMBHPOQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.95
Rot. Bonds5

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

1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea (PubChem CID 91966881) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
PubChem CID91966881
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H23N5O3/c1-13-10-17(23-6-8-26-9-7-23)22-16(20-13)12-19-18(24)21-14-4-3-5-15(11-14)25-2/h3-5,10-11H,6-9,12H2,1-2H3,(H2,19,21,24)
InChIKeyFUXVVVFZMBHPOQ-UHFFFAOYSA-N
XLogP1.95
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 122319002
1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 122318998
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
1-(3,4-dimethoxyphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318416
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122317727
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324293
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea (CID 91966881) is 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea is COc1cccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The InChIKey is FUXVVVFZMBHPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13-10-17(23-6-8-26-9-7-23)22-16(20-13)12-19-18(24)21-14-4-3-5-15(11-14)25-2/h3-5,10-11H,6-9,12H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea has a molecular weight of 357.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 91966881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).