ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol

C11H18FN3O — CID 144625422

IUPACethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
SMILESCC.Cc1nc(N2CCC(O)C2)ncc1F
InChIInChI=1S/C9H12FN3O.C2H6/c1-6-8(10)4-11-9(12-6)13-3-2-7(14)5-13;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3
InChIKeyMVNFWYCNALXSPT-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.52
Rot. Bonds1

About ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol

ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 144625422) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID144625422
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Nameethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
SMILESCC.Cc1nc(N2CCC(O)C2)ncc1F
InChIInChI=1S/C9H12FN3O.C2H6/c1-6-8(10)4-11-9(12-6)13-3-2-7(14)5-13;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3
InChIKeyMVNFWYCNALXSPT-UHFFFAOYSA-N
XLogP1.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
CID 104843548
(3R)-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-ol
CID 104929635
4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83181005
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 175895695
N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide
CID 141173147
(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-ol
CID 129412688
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181663
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
(3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride
CID 140703881

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol (CID 144625422) is ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol is CC.Cc1nc(N2CCC(O)C2)ncc1F.
What is the InChIKey of ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is MVNFWYCNALXSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O.C2H6/c1-6-8(10)4-11-9(12-6)13-3-2-7(14)5-13;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3.
What are the key properties of ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol?
ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 227.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 144625422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).