1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol

C18H23FN4O2 — CID 111422084

IUPAC1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol
SMILESCC(NCc1cnc(N2CCOCC2)nc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c1-13(17(24)15-2-4-16(19)5-3-15)20-10-14-11-21-18(22-12-14)23-6-8-25-9-7-23/h2-5,11-13,17,20,24H,6-10H2,1H3
InChIKeyDTFOBJTWXWVWSD-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.66
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol

1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol (PubChem CID 111422084) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol
PubChem CID111422084
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol
SMILESCC(NCc1cnc(N2CCOCC2)nc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c1-13(17(24)15-2-4-16(19)5-3-15)20-10-14-11-21-18(22-12-14)23-6-8-25-9-7-23/h2-5,11-13,17,20,24H,6-10H2,1H3
InChIKeyDTFOBJTWXWVWSD-UHFFFAOYSA-N
XLogP1.66
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277071
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 95575472
3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol
CID 111114925
(2R)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277051
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 111422085
2-fluoro-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propan-2-yloxyaniline
CID 86781541
4-methylsulfanyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butanoic acid
CID 91671336
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 56814804
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713
1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 47052615
(1S)-1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 95582612

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol (CID 111422084) is 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol is CC(NCc1cnc(N2CCOCC2)nc1)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol?
The InChIKey is DTFOBJTWXWVWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(17(24)15-2-4-16(19)5-3-15)20-10-14-11-21-18(22-12-14)23-6-8-25-9-7-23/h2-5,11-13,17,20,24H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol?
1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol has a molecular weight of 346.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 111422084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).