2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide

C18H22FN5O2 — CID 90322943

IUPAC2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
SMILESCc1nc(NCCN2CCOCC2)ncc1-c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C18H22FN5O2/c1-12-15(13-2-3-16(19)14(10-13)17(20)25)11-22-18(23-12)21-4-5-24-6-8-26-9-7-24/h2-3,10-11H,4-9H2,1H3,(H2,20,25)(H,21,22,23)
InChIKeyBOYJMACBKQNSEP-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.43
Rot. Bonds6

About 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide

2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide (PubChem CID 90322943) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
PubChem CID90322943
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
SMILESCc1nc(NCCN2CCOCC2)ncc1-c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C18H22FN5O2/c1-12-15(13-2-3-16(19)14(10-13)17(20)25)11-22-18(23-12)21-4-5-24-6-8-26-9-7-24/h2-3,10-11H,4-9H2,1H3,(H2,20,25)(H,21,22,23)
InChIKeyBOYJMACBKQNSEP-UHFFFAOYSA-N
XLogP1.43
TPSA93.37 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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 90323012
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 92567545
ethane;2-fluoro-5-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyrimidin-5-yl]benzaldehyde;methanamine
CID 144667987
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
1-[2-fluoro-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 10144754
2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 68518780
N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325294
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide (CID 90322943) is 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide is Cc1nc(NCCN2CCOCC2)ncc1-c1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide?
The InChIKey is BOYJMACBKQNSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-12-15(13-2-3-16(19)14(10-13)17(20)25)11-22-18(23-12)21-4-5-24-6-8-26-9-7-24/h2-3,10-11H,4-9H2,1H3,(H2,20,25)(H,21,22,23).
What are the key properties of 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide?
2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide has a molecular weight of 359.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 90322943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).