(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol

C12H18FN3O — CID 125139672

IUPAC(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
SMILESCCc1ncnc(N2C[C@H](O)C(C)(C)C2)c1F
InChIInChI=1S/C12H18FN3O/c1-4-8-10(13)11(15-7-14-8)16-5-9(17)12(2,3)6-16/h7,9,17H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyDOAYLHSCJQYLLD-VIFPVBQESA-N
MW239.29 g/mol
LogP1.39
Rot. Bonds2

About (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol

(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol (PubChem CID 125139672) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
PubChem CID125139672
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
SMILESCCc1ncnc(N2C[C@H](O)C(C)(C)C2)c1F
InChIInChI=1S/C12H18FN3O/c1-4-8-10(13)11(15-7-14-8)16-5-9(17)12(2,3)6-16/h7,9,17H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyDOAYLHSCJQYLLD-VIFPVBQESA-N
XLogP1.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol (CID 125139672) is (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol is CCc1ncnc(N2C[C@H](O)C(C)(C)C2)c1F.
What is the InChIKey of (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol?
The InChIKey is DOAYLHSCJQYLLD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18FN3O/c1-4-8-10(13)11(15-7-14-8)16-5-9(17)12(2,3)6-16/h7,9,17H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol?
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol has a molecular weight of 239.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 125139672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).