1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol

C18H25FN4O — CID 57097033

IUPAC1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol
SMILESCN(CCCC(O)c1ccc(F)cc1)CCN(C)c1ncccn1
InChIInChI=1S/C18H25FN4O/c1-22(13-14-23(2)18-20-10-4-11-21-18)12-3-5-17(24)15-6-8-16(19)9-7-15/h4,6-11,17,24H,3,5,12-14H2,1-2H3
InChIKeyXQAGGFCEANCMRK-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.50
Rot. Bonds9

About 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol

1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol (PubChem CID 57097033) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol
PubChem CID57097033
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol
SMILESCN(CCCC(O)c1ccc(F)cc1)CCN(C)c1ncccn1
InChIInChI=1S/C18H25FN4O/c1-22(13-14-23(2)18-20-10-4-11-21-18)12-3-5-17(24)15-6-8-16(19)9-7-15/h4,6-11,17,24H,3,5,12-14H2,1-2H3
InChIKeyXQAGGFCEANCMRK-UHFFFAOYSA-N
XLogP2.50
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol with MolForge

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Related Compounds

Bmy-14802
CID 108046
Fenyripol Hydrochloride
CID 17118
Azaperol
CID 3080589
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
(R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 6604868
1,1-Bis-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 10321125
4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 10363230
4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 10476595
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
Fenyripol
CID 17119

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol (CID 57097033) is 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol is CN(CCCC(O)c1ccc(F)cc1)CCN(C)c1ncccn1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol?
The InChIKey is XQAGGFCEANCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-22(13-14-23(2)18-20-10-4-11-21-18)12-3-5-17(24)15-6-8-16(19)9-7-15/h4,6-11,17,24H,3,5,12-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol?
1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol has a molecular weight of 332.42 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[methyl-[2-[methyl(pyrimidin-2-yl)amino]ethyl]amino]butan-1-ol is sourced from PubChem (CID 57097033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).