3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide

C18H22FN5O2 — CID 122327988

IUPAC3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1F
InChIInChI=1S/C18H22FN5O2/c1-13-2-3-14(10-15(13)19)18(25)21-5-4-20-16-11-17(23-12-22-16)24-6-8-26-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyOPGKQWWHQILEIZ-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.60
Rot. Bonds6

About 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide

3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 122327988) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID122327988
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1F
InChIInChI=1S/C18H22FN5O2/c1-13-2-3-14(10-15(13)19)18(25)21-5-4-20-16-11-17(23-12-22-16)24-6-8-26-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyOPGKQWWHQILEIZ-UHFFFAOYSA-N
XLogP1.60
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328012
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 56921964
4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328145
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 70702890
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122327974
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326507
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188
1-(2,5-difluorophenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122327886
1-(3-fluoro-4-methylphenyl)-3-(6-morpholin-4-ylpyrimidin-4-yl)urea
CID 90544390
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide (CID 122327988) is 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is OPGKQWWHQILEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-13-2-3-14(10-15(13)19)18(25)21-5-4-20-16-11-17(23-12-22-16)24-6-8-26-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 359.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 122327988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).