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

C16H23FN4O2 — CID 72859671

IUPAC(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@]1(O)C1CC1
InChIInChI=1S/C16H23FN4O2/c1-11-9-21(10-16(11,22)12-2-3-12)15-18-8-13(17)14(19-15)20-4-6-23-7-5-20/h8,11-12,22H,2-7,9-10H2,1H3/t11-,16+/m1/s1
InChIKeyCRPBUOJFZWNRNN-BZNIZROVSA-N
MW322.38 g/mol
LogP1.05
Rot. Bonds3

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

(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol (PubChem CID 72859671) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol
PubChem CID72859671
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@]1(O)C1CC1
InChIInChI=1S/C16H23FN4O2/c1-11-9-21(10-16(11,22)12-2-3-12)15-18-8-13(17)14(19-15)20-4-6-23-7-5-20/h8,11-12,22H,2-7,9-10H2,1H3/t11-,16+/m1/s1
InChIKeyCRPBUOJFZWNRNN-BZNIZROVSA-N
XLogP1.05
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-{6-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72878549
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
2-[1-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
CID 50957693
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
(3R*,4R*)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72838588
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
(3R,4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 164640940
2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine
CID 170282043
9-(2-Chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
CID 172608303

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol (CID 72859671) is (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol is C[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@]1(O)C1CC1.
What is the InChIKey of (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is CRPBUOJFZWNRNN-BZNIZROVSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-11-9-21(10-16(11,22)12-2-3-12)15-18-8-13(17)14(19-15)20-4-6-23-7-5-20/h8,11-12,22H,2-7,9-10H2,1H3/t11-,16+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
(3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 322.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 72859671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).