(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol

C15H21FN6O2 — CID 129343264

IUPAC(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
SMILESCCc1ncnc(N2C[C@@H](O)[C@H](N(C)Cc3nnc(C)o3)C2)c1F
InChIInChI=1S/C15H21FN6O2/c1-4-10-14(16)15(18-8-17-10)22-5-11(12(23)6-22)21(3)7-13-20-19-9(2)24-13/h8,11-12,23H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyWHFQDXWLLRTBEN-VXGBXAGGSA-N
MW336.37 g/mol
LogP0.55
Rot. Bonds5

About (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol

(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol (PubChem CID 129343264) has the molecular formula C15H21FN6O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
PubChem CID129343264
Molecular FormulaC15H21FN6O2
Molecular Weight336.37 g/mol
Exact Mass336.17
IUPAC Name(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
SMILESCCc1ncnc(N2C[C@@H](O)[C@H](N(C)Cc3nnc(C)o3)C2)c1F
InChIInChI=1S/C15H21FN6O2/c1-4-10-14(16)15(18-8-17-10)22-5-11(12(23)6-22)21(3)7-13-20-19-9(2)24-13/h8,11-12,23H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyWHFQDXWLLRTBEN-VXGBXAGGSA-N
XLogP0.55
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol (CID 129343264) is (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol is CCc1ncnc(N2C[C@@H](O)[C@H](N(C)Cc3nnc(C)o3)C2)c1F.
What is the InChIKey of (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol?
The InChIKey is WHFQDXWLLRTBEN-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21FN6O2/c1-4-10-14(16)15(18-8-17-10)22-5-11(12(23)6-22)21(3)7-13-20-19-9(2)24-13/h8,11-12,23H,4-7H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol?
(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol has a molecular weight of 336.37 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol is sourced from PubChem (CID 129343264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).