5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

C20H23FN6O — CID 92567545

IUPAC5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESCn1ccnc1-c1nc(NCCN2CCOCC2)ncc1-c1cccc(F)c1
InChIInChI=1S/C20H23FN6O/c1-26-7-5-22-19(26)18-17(15-3-2-4-16(21)13-15)14-24-20(25-18)23-6-8-27-9-11-28-12-10-27/h2-5,7,13-14H,6,8-12H2,1H3,(H,23,24,25)
InChIKeyIIZVOXVQAUZDFB-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.43
Rot. Bonds6

About 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 92567545) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID92567545
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESCn1ccnc1-c1nc(NCCN2CCOCC2)ncc1-c1cccc(F)c1
InChIInChI=1S/C20H23FN6O/c1-26-7-5-22-19(26)18-17(15-3-2-4-16(21)13-15)14-24-20(25-18)23-6-8-27-9-11-28-12-10-27/h2-5,7,13-14H,6,8-12H2,1H3,(H,23,24,25)
InChIKeyIIZVOXVQAUZDFB-UHFFFAOYSA-N
XLogP2.43
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine
CID 92567481
4-(3-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668934
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
CID 90322943
5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine
CID 110240343
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086
5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
CID 29029101
2-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56678801
4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 92606419
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325283
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (CID 92567545) is 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is Cn1ccnc1-c1nc(NCCN2CCOCC2)ncc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is IIZVOXVQAUZDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-26-7-5-22-19(26)18-17(15-3-2-4-16(21)13-15)14-24-20(25-18)23-6-8-27-9-11-28-12-10-27/h2-5,7,13-14H,6,8-12H2,1H3,(H,23,24,25).
What are the key properties of 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 382.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 92567545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).