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

C17H21N5O2 — CID 91967530

IUPAC1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
SMILESCc1cc(CNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N5O2/c1-13-11-15(20-16(19-13)22-7-9-24-10-8-22)12-18-17(23)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,18,21,23)
InChIKeyCADDASQAJUASDY-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.94
Rot. Bonds4

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

1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea (PubChem CID 91967530) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
PubChem CID91967530
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
SMILESCc1cc(CNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N5O2/c1-13-11-15(20-16(19-13)22-7-9-24-10-8-22)12-18-17(23)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,18,21,23)
InChIKeyCADDASQAJUASDY-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-(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-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967504
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353652
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 91967478
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
1-(4-ethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352293
2-(1H-indol-3-yl)-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 91967492
2-indol-1-yl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353777

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea (CID 91967530) is 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea is Cc1cc(CNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea?
The InChIKey is CADDASQAJUASDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-11-15(20-16(19-13)22-7-9-24-10-8-22)12-18-17(23)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,18,21,23).
What are the key properties of 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea?
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea 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-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea is sourced from PubChem (CID 91967530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).