1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea

C18H23N5O2 — CID 91968661

IUPAC1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1c(C)nc(N2CCOCC2)nc1C
InChIInChI=1S/C18H23N5O2/c1-12-6-4-5-7-15(12)21-18(24)22-16-13(2)19-17(20-14(16)3)23-8-10-25-11-9-23/h4-7H,8-11H2,1-3H3,(H2,21,22,24)
InChIKeyICZYIFNGOGHARO-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.88
Rot. Bonds3

About 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea

1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea (PubChem CID 91968661) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
PubChem CID91968661
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1c(C)nc(N2CCOCC2)nc1C
InChIInChI=1S/C18H23N5O2/c1-12-6-4-5-7-15(12)21-18(24)22-16-13(2)19-17(20-14(16)3)23-8-10-25-11-9-23/h4-7H,8-11H2,1-3H3,(H2,21,22,24)
InChIKeyICZYIFNGOGHARO-UHFFFAOYSA-N
XLogP2.88
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
CID 91968666
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea
CID 71807357
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 91968599
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide
CID 122356909
1-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3-(4-methoxy-2-methylphenyl)urea
CID 122357108
(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 122356950
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356869
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea (CID 91968661) is 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1c(C)nc(N2CCOCC2)nc1C.
What is the InChIKey of 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea?
The InChIKey is ICZYIFNGOGHARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-6-4-5-7-15(12)21-18(24)22-16-13(2)19-17(20-14(16)3)23-8-10-25-11-9-23/h4-7H,8-11H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea?
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea has a molecular weight of 341.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 91968661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).