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

C17H21N5O2 — CID 91967391

IUPAC1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
SMILESCc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H21N5O2/c1-13-3-2-4-14(11-13)21-17(23)19-12-15-5-6-18-16(20-15)22-7-9-24-10-8-22/h2-6,11H,7-10,12H2,1H3,(H2,19,21,23)
InChIKeyIZUCVSXTTQSUFL-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.94
Rot. Bonds4

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

1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea (PubChem CID 91967391) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
PubChem CID91967391
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
SMILESCc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H21N5O2/c1-13-3-2-4-14(11-13)21-17(23)19-12-15-5-6-18-16(20-15)22-7-9-24-10-8-22/h2-6,11H,7-10,12H2,1H3,(H2,19,21,23)
InChIKeyIZUCVSXTTQSUFL-UHFFFAOYSA-N
XLogP1.94
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylphenyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967155
1-(3-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 72718331
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353603
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967171
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
1-(2,3-dimethylphenyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967166
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
1-(3-methylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966659

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea (CID 91967391) is 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea is Cc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
The InChIKey is IZUCVSXTTQSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-3-2-4-14(11-13)21-17(23)19-12-15-5-6-18-16(20-15)22-7-9-24-10-8-22/h2-6,11H,7-10,12H2,1H3,(H2,19,21,23).
What are the key properties of 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea?
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea has a molecular weight of 327.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 91967391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).