5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol

C17H22FN3O — CID 133420036

IUPAC5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol
SMILESCCc1ncnc(NCC(CC(C)O)c2ccccc2)c1F
InChIInChI=1S/C17H22FN3O/c1-3-15-16(18)17(21-11-20-15)19-10-14(9-12(2)22)13-7-5-4-6-8-13/h4-8,11-12,14,22H,3,9-10H2,1-2H3,(H,19,20,21)
InChIKeyDOXZSHIUMZBEEK-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.14
Rot. Bonds7

About 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol

5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol (PubChem CID 133420036) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol.

Molecular Properties

Compound Name5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol
PubChem CID133420036
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol
SMILESCCc1ncnc(NCC(CC(C)O)c2ccccc2)c1F
InChIInChI=1S/C17H22FN3O/c1-3-15-16(18)17(21-11-20-15)19-10-14(9-12(2)22)13-7-5-4-6-8-13/h4-8,11-12,14,22H,3,9-10H2,1-2H3,(H,19,20,21)
InChIKeyDOXZSHIUMZBEEK-UHFFFAOYSA-N
XLogP3.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine
CID 133419084
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
4-phenylheptane-2,6-diol
CID 173150769
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80778733
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045758
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061059
5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol
CID 167952717

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol?
The IUPAC name of 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol (CID 133420036) is 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol.
What is the SMILES notation for 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol?
The canonical SMILES for 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol is CCc1ncnc(NCC(CC(C)O)c2ccccc2)c1F.
What is the InChIKey of 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol?
The InChIKey is DOXZSHIUMZBEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-3-15-16(18)17(21-11-20-15)19-10-14(9-12(2)22)13-7-5-4-6-8-13/h4-8,11-12,14,22H,3,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol?
5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol has a molecular weight of 303.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol is sourced from PubChem (CID 133420036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).