1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol

C17H22FN3O2 — CID 133272671

IUPAC1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESCc1cc(NCC(O)COc2ccc(F)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H22FN3O2/c1-11(2)17-20-12(3)8-16(21-17)19-9-14(22)10-23-15-6-4-13(18)5-7-15/h4-8,11,14,22H,9-10H2,1-3H3,(H,19,20,21)
InChIKeyVHRWJRBCMCSXSA-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.90
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol

1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 133272671) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID133272671
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESCc1cc(NCC(O)COc2ccc(F)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H22FN3O2/c1-11(2)17-20-12(3)8-16(21-17)19-9-14(22)10-23-15-6-4-13(18)5-7-15/h4-8,11,14,22H,9-10H2,1-3H3,(H,19,20,21)
InChIKeyVHRWJRBCMCSXSA-UHFFFAOYSA-N
XLogP2.90
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 64541513
(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol
CID 97307213
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43428292
tert-butyl 5-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyrazine-2-carboxylate
CID 100671105

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol (CID 133272671) is 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol is Cc1cc(NCC(O)COc2ccc(F)cc2)nc(C(C)C)n1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is VHRWJRBCMCSXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-11(2)17-20-12(3)8-16(21-17)19-9-14(22)10-23-15-6-4-13(18)5-7-15/h4-8,11,14,22H,9-10H2,1-3H3,(H,19,20,21).
What are the key properties of 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol?
1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 319.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 133272671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).