(3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol

C15H21F3N4O2 — CID 56885891

IUPAC(3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN(c2nccc(CCC(F)(F)F)n2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)3-1-11-2-4-19-14(20-11)22-9-12(13(23)10-22)21-5-7-24-8-6-21/h2,4,12-13,23H,1,3,5-10H2/t12-,13-/m0/s1
InChIKeyYNCLNEMFICYNPA-STQMWFEESA-N
MW346.35 g/mol
LogP0.85
Rot. Bonds4

About (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol

(3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 56885891) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID56885891
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name(3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN(c2nccc(CCC(F)(F)F)n2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)3-1-11-2-4-19-14(20-11)22-9-12(13(23)10-22)21-5-7-24-8-6-21/h2,4,12-13,23H,1,3,5-10H2/t12-,13-/m0/s1
InChIKeyYNCLNEMFICYNPA-STQMWFEESA-N
XLogP0.85
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862385
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286
(1-methyl-1H-imidazol-2-yl){1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl}methanol
CID 56864248
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
N-(1,4-dioxan-2-ylmethyl)-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866479
(3S*,4S*)-4-isopropoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 56868405
(3-Endo)-8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 56869053
(3S*,4R*)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
2-(4-Pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56871045
((2S,4R)-1-methyl-4-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino}pyrrolidin-2-yl)methanol
CID 56871290
N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56873098

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 56885891) is (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol is O[C@H]1CN(c2nccc(CCC(F)(F)F)n2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is YNCLNEMFICYNPA-STQMWFEESA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)3-1-11-2-4-19-14(20-11)22-9-12(13(23)10-22)21-5-7-24-8-6-21/h2,4,12-13,23H,1,3,5-10H2/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol?
(3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 346.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-morpholin-4-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 56885891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).