2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol

C19H25FN6O — CID 141058637

IUPAC2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C19H25FN6O/c20-14-1-5-16(6-2-14)25-8-10-26(11-9-25)18-13-17(21-7-12-27)23-19(24-18)22-15-3-4-15/h1-2,5-6,13,15,27H,3-4,7-12H2,(H2,21,22,23,24)
InChIKeyZBPCIRQIEQJHKJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.92
Rot. Bonds7

About 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol

2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 141058637) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID141058637
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C19H25FN6O/c20-14-1-5-16(6-2-14)25-8-10-26(11-9-25)18-13-17(21-7-12-27)23-19(24-18)22-15-3-4-15/h1-2,5-6,13,15,27H,3-4,7-12H2,(H2,21,22,23,24)
InChIKeyZBPCIRQIEQJHKJ-UHFFFAOYSA-N
XLogP1.92
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

2-(2-hydroxyethylamino)-9-isopropylpurine core C6-substituents, 65
CID 51049527
N-(3-fluorophenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921801
2-[[6-Amino-2-(3-fluoroanilino)-5-nitropyrimidin-4-yl]amino]ethanol
CID 3301535
N4-(3-fluorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine
CID 3732306
6-(4-methylpiperazin-1-yl)-4-N-phenylpyrimidine-2,4-diamine
CID 16061839
(4,6-Dimethylpyrimidin-2-yl)(4-morpholin-4-ylphenyl)amine
CID 734491
4-N-(4-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3733327
6-butyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 44526615
2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
CID 44526625
5-Amino-4-morpholino-6-(phenylamino)pyrimidine-2-carbonitrile
CID 44565776
2-[[6-Amino-2-(2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]ethanol
CID 3978264
4-N-cyclopropyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11695599

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol (CID 141058637) is 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol is OCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(NC2CC2)n1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is ZBPCIRQIEQJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O/c20-14-1-5-16(6-2-14)25-8-10-26(11-9-25)18-13-17(21-7-12-27)23-19(24-18)22-15-3-4-15/h1-2,5-6,13,15,27H,3-4,7-12H2,(H2,21,22,23,24).
What are the key properties of 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol?
2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 372.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 141058637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).