1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea

C17H19F2N5O2 — CID 122318998

IUPAC1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C17H19F2N5O2/c1-11-8-16(24-4-6-26-7-5-24)23-15(21-11)10-20-17(25)22-14-9-12(18)2-3-13(14)19/h2-3,8-9H,4-7,10H2,1H3,(H2,20,22,25)
InChIKeyCTNSDUOQCXNDPJ-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.22
Rot. Bonds4

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

1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea (PubChem CID 122318998) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
PubChem CID122318998
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC Name1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C17H19F2N5O2/c1-11-8-16(24-4-6-26-7-5-24)23-15(21-11)10-20-17(25)22-14-9-12(18)2-3-13(14)19/h2-3,8-9H,4-7,10H2,1H3,(H2,20,22,25)
InChIKeyCTNSDUOQCXNDPJ-UHFFFAOYSA-N
XLogP2.22
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318167
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966881
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
1-[3-(difluoromethoxy)phenyl]-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 122319002
3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 122319168
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
1-(2,5-difluorophenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122327886
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
1-(3-fluoro-4-methylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318124

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea (CID 122318998) is 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea is Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2cc(F)ccc2F)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
The InChIKey is CTNSDUOQCXNDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c1-11-8-16(24-4-6-26-7-5-24)23-15(21-11)10-20-17(25)22-14-9-12(18)2-3-13(14)19/h2-3,8-9H,4-7,10H2,1H3,(H2,20,22,25).
What are the key properties of 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea?
1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea has a molecular weight of 363.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 122318998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).