[1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

C12H18FN3O — CID 102809636

IUPAC[1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCc1ncnc(N2CCC(C)C2CO)c1F
InChIInChI=1S/C12H18FN3O/c1-3-9-11(13)12(15-7-14-9)16-5-4-8(2)10(16)6-17/h7-8,10,17H,3-6H2,1-2H3
InChIKeyGWMLOEBPARYMMG-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.39
Rot. Bonds3

About [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102809636) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102809636
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCc1ncnc(N2CCC(C)C2CO)c1F
InChIInChI=1S/C12H18FN3O/c1-3-9-11(13)12(15-7-14-9)16-5-4-8(2)10(16)6-17/h7-8,10,17H,3-6H2,1-2H3
InChIKeyGWMLOEBPARYMMG-UHFFFAOYSA-N
XLogP1.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 75438010
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
CID 125139672
1-(5-Fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
CID 118424351
[(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol
CID 166003461
(3S*,4R*)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 72838621
(3S*,4S*)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 72845575
2-[4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 75437962
[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]methanol
CID 75504421
N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75508624
(2S)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 97331717

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102809636) is [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is CCc1ncnc(N2CCC(C)C2CO)c1F.
What is the InChIKey of [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is GWMLOEBPARYMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-9-11(13)12(15-7-14-9)16-5-4-8(2)10(16)6-17/h7-8,10,17H,3-6H2,1-2H3.
What are the key properties of [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102809636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).