1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol

C11H16FN3O — CID 118424351

IUPAC1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
SMILESCC(C)c1nc(N2CCC(O)C2)ncc1F
InChIInChI=1S/C11H16FN3O/c1-7(2)10-9(12)5-13-11(14-10)15-4-3-8(16)6-15/h5,7-8,16H,3-4,6H2,1-2H3
InChIKeySQPSWTQGSVEZDF-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.31
Rot. Bonds2

About 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol

1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 118424351) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID118424351
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
SMILESCC(C)c1nc(N2CCC(O)C2)ncc1F
InChIInChI=1S/C11H16FN3O/c1-7(2)10-9(12)5-13-11(14-10)15-4-3-8(16)6-15/h5,7-8,16H,3-4,6H2,1-2H3
InChIKeySQPSWTQGSVEZDF-UHFFFAOYSA-N
XLogP1.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-Methylpyrimidin-4-yl)piperidin-1-yl]ethanol
CID 73439066
2-[3-(2-Aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol
CID 110254170
(3S*,4S*)-4-isopropoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 56868405
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
CID 125139672
(2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 126426597
(3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 164633472
(3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol
CID 164634398
N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 58115777
5-Fluoro-2-methoxy-4-propan-2-ylpyrimidine
CID 59589127
4-(5-Fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine
CID 59618121
2-(5-Fluoro-4-propan-2-ylpyrimidin-2-yl)propan-2-ol
CID 89604316
5-Fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
CID 118424355

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol (CID 118424351) is 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol is CC(C)c1nc(N2CCC(O)C2)ncc1F.
What is the InChIKey of 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is SQPSWTQGSVEZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7(2)10-9(12)5-13-11(14-10)15-4-3-8(16)6-15/h5,7-8,16H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol?
1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 225.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 118424351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).