4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride

C20H24ClFN6O — CID 16665248

IUPAC4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride
SMILESCc1ncc(-c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2F)n1C.Cl
InChIInChI=1S/C20H23FN6O.ClH/c1-14-22-12-18(26(14)2)19-17(21)11-23-20(25-19)24-16-5-3-15(4-6-16)13-27-7-9-28-10-8-27;/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,25);1H
InChIKeyIEXYJAHBXUPQRR-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.32
Rot. Bonds5

About 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride

4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride (PubChem CID 16665248) has the molecular formula C20H24ClFN6O and a molecular weight of 418.90 g/mol. Its IUPAC name is 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride
PubChem CID16665248
Molecular FormulaC20H24ClFN6O
Molecular Weight418.90 g/mol
Exact Mass418.17
IUPAC Name4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride
SMILESCc1ncc(-c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2F)n1C.Cl
InChIInChI=1S/C20H23FN6O.ClH/c1-14-22-12-18(26(14)2)19-17(21)11-23-20(25-19)24-16-5-3-15(4-6-16)13-27-7-9-28-10-8-27;/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,25);1H
InChIKeyIEXYJAHBXUPQRR-UHFFFAOYSA-N
XLogP3.32
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride with MolForge

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Related Compounds

5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 16665251
[4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]methanesulfinic acid
CID 175256739
N-[4-[(4-cyclobutyl-1,4-diazepan-1-yl)methyl]phenyl]-5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 123533437
5-fluoro-N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 68687886
5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 24803089
[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 68973664
[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;hydrochloride
CID 68973877
N,N-diethyl-4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 68973871
N-[6-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3-pyridinyl]-5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 24803087
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 25255712
5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 156761505
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride (CID 16665248) is 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride is Cc1ncc(-c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2F)n1C.Cl.
What is the InChIKey of 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The InChIKey is IEXYJAHBXUPQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O.ClH/c1-14-22-12-18(26(14)2)19-17(21)11-23-20(25-19)24-16-5-3-15(4-6-16)13-27-7-9-28-10-8-27;/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,25);1H.
What are the key properties of 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride?
4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride has a molecular weight of 418.90 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 16665248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).