2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol

C13H21FN4O — CID 75437962

IUPAC2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
SMILESCCc1ncnc(N2CCN(C(C)CO)CC2)c1F
InChIInChI=1S/C13H21FN4O/c1-3-11-12(14)13(16-9-15-11)18-6-4-17(5-7-18)10(2)8-19/h9-10,19H,3-8H2,1-2H3
InChIKeyWOMSXOQDIKGBFJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.68
Rot. Bonds4

About 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol

2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol (PubChem CID 75437962) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
PubChem CID75437962
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
SMILESCCc1ncnc(N2CCN(C(C)CO)CC2)c1F
InChIInChI=1S/C13H21FN4O/c1-3-11-12(14)13(16-9-15-11)18-6-4-17(5-7-18)10(2)8-19/h9-10,19H,3-8H2,1-2H3
InChIKeyWOMSXOQDIKGBFJ-UHFFFAOYSA-N
XLogP0.68
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 84592103
2-[4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
CID 84598943
3-Cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine
CID 84600131
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 56826362
2-(4-(6,7-Dihydro-5h-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)ethan-1-ol
CID 62832069
1-(6-Ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 108152161
4-Ethyl-5-fluoro-6-(4-isopropylpiperazin-1-yl)pyrimidine
CID 119103485
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
CID 125139672
1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-methoxy-N-methylazetidin-3-amine
CID 132390769
1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136571599
2-[(2R,6S)-4-(6-ethyl-2-methylpyrimidin-4-yl)-2,6-dimethylpiperazin-1-yl]ethanol
CID 137992412
[(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
CID 164635082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol (CID 75437962) is 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol is CCc1ncnc(N2CCN(C(C)CO)CC2)c1F.
What is the InChIKey of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is WOMSXOQDIKGBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-3-11-12(14)13(16-9-15-11)18-6-4-17(5-7-18)10(2)8-19/h9-10,19H,3-8H2,1-2H3.
What are the key properties of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 268.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 75437962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).