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

C17H19F2N5O2 — CID 91968666

IUPAC1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N5O2/c1-10-15(11(2)21-16(20-10)24-5-7-26-8-6-24)23-17(25)22-14-4-3-12(18)9-13(14)19/h3-4,9H,5-8H2,1-2H3,(H2,22,23,25)
InChIKeyZUWMXJMTMKPGKV-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.85
Rot. Bonds3

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

1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea (PubChem CID 91968666) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
PubChem CID91968666
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC Name1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N5O2/c1-10-15(11(2)21-16(20-10)24-5-7-26-8-6-24)23-17(25)22-14-4-3-12(18)9-13(14)19/h3-4,9H,5-8H2,1-2H3,(H2,22,23,25)
InChIKeyZUWMXJMTMKPGKV-UHFFFAOYSA-N
XLogP2.85
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
CID 91968602
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959635
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,4-difluorobenzamide
CID 122357088
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43992816
1-(2-chloro-4-methylphenyl)-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356509
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 122356950
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea
CID 71807357
1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 42938134

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea (CID 91968666) is 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea?
The InChIKey is ZUWMXJMTMKPGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c1-10-15(11(2)21-16(20-10)24-5-7-26-8-6-24)23-17(25)22-14-4-3-12(18)9-13(14)19/h3-4,9H,5-8H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea?
1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea has a molecular weight of 363.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea is sourced from PubChem (CID 91968666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).