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

C13H18FN3O2 — CID 72872622

IUPAC(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol
SMILESCOc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1F
InChIInChI=1S/C13H18FN3O2/c1-8-6-17(7-13(8,18)9-3-4-9)12-15-5-10(14)11(16-12)19-2/h5,8-9,18H,3-4,6-7H2,1-2H3/t8-,13+/m1/s1
InChIKeyPCWBRSUNUFWPHB-OQPBUACISA-N
MW267.30 g/mol
LogP1.22
Rot. Bonds3

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

(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol (PubChem CID 72872622) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol
PubChem CID72872622
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol
SMILESCOc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1F
InChIInChI=1S/C13H18FN3O2/c1-8-6-17(7-13(8,18)9-3-4-9)12-15-5-10(14)11(16-12)19-2/h5,8-9,18H,3-4,6-7H2,1-2H3/t8-,13+/m1/s1
InChIKeyPCWBRSUNUFWPHB-OQPBUACISA-N
XLogP1.22
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol with MolForge

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Related Compounds

(3R*,4R*)-3-cyclopropyl-1-(6-methoxy-4-pyrimidinyl)-4-methyl-3-pyrrolidinol
CID 72866606
3-Cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
CID 75511384
2-[(3S)-1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
CID 129615561
5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine
CID 164633283
(3R*,4R*)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
CID 70716015
(3R)-1-(5-fluoro-4-methoxy-2-pyrimidinyl)-3,4,4-trimethyl-3-pyrrolidinol
CID 72913915
3-Cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
CID 77900170
(3S,4S)-4-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 86283027
(2R)-2-cyclopropyl-4-(5-fluoro-4-methoxypyrimidin-2-yl)morpholine
CID 129610457
(2S)-2-cyclopropyl-4-(5-fluoro-4-methoxypyrimidin-2-yl)morpholine
CID 129610458
2-(4-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}piperidin-1-YL)ethanol
CID 129615102
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,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol (CID 72872622) is (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol is COc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1F.
What is the InChIKey of (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is PCWBRSUNUFWPHB-OQPBUACISA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8-6-17(7-13(8,18)9-3-4-9)12-15-5-10(14)11(16-12)19-2/h5,8-9,18H,3-4,6-7H2,1-2H3/t8-,13+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 267.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 72872622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).