(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol

C12H18FN3O2 — CID 72913915

IUPAC(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol
SMILESCOc1nc(N2CC(C)(C)[C@@](C)(O)C2)ncc1F
InChIInChI=1S/C12H18FN3O2/c1-11(2)6-16(7-12(11,3)17)10-14-5-8(13)9(15-10)18-4/h5,17H,6-7H2,1-4H3/t12-/m0/s1
InChIKeyDRRZSVWWYHOAPM-LBPRGKRZSA-N
MW255.29 g/mol
LogP1.22
Rot. Bonds2

About (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol

(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol (PubChem CID 72913915) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol
PubChem CID72913915
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol
SMILESCOc1nc(N2CC(C)(C)[C@@](C)(O)C2)ncc1F
InChIInChI=1S/C12H18FN3O2/c1-11(2)6-16(7-12(11,3)17)10-14-5-8(13)9(15-10)18-4/h5,17H,6-7H2,1-4H3/t12-/m0/s1
InChIKeyDRRZSVWWYHOAPM-LBPRGKRZSA-N
XLogP1.22
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 86703195
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 129620330
5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine
CID 164633283
(3R)-3-(5-fluoro-4-methoxypyrimidin-2-yl)oxypyrrolidine-1-carbaldehyde
CID 175159284
3-(5-Fluoro-4-methoxypyrimidin-2-yl)oxypyrrolidine-1-carbaldehyde
CID 175159285
(3R*,4R*)-3-cyclopropyl-1-(5-fluoro-4-methoxy-2-pyrimidinyl)-4-methyl-3-pyrrolidinol
CID 72872622
5-Fluoro-4-methoxy-N-{[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl}pyrimidin-2-amine
CID 122568933
rac-(3'S,4'S)-1'-(5-fluoro-4-methoxypyrimidin-2-yl)-1,3'-bipyrrolidin-4'-ol
CID 129608729
2-(4-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}piperidin-1-YL)ethanol
CID 129615102
N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129619168
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129619169
1-[(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
CID 129619724

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol (CID 72913915) is (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol is COc1nc(N2CC(C)(C)[C@@](C)(O)C2)ncc1F.
What is the InChIKey of (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol?
The InChIKey is DRRZSVWWYHOAPM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-11(2)6-16(7-12(11,3)17)10-14-5-8(13)9(15-10)18-4/h5,17H,6-7H2,1-4H3/t12-/m0/s1.
What are the key properties of (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol?
(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol has a molecular weight of 255.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3,4,4-trimethylpyrrolidin-3-ol is sourced from PubChem (CID 72913915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).