(2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol

C12H20FN3O — CID 70141586

IUPAC(2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol
SMILESCCc1cnc(N(CC)C[C@H](F)[C@@H](C)O)nc1
InChIInChI=1S/C12H20FN3O/c1-4-10-6-14-12(15-7-10)16(5-2)8-11(13)9(3)17/h6-7,9,11,17H,4-5,8H2,1-3H3/t9-,11+/m1/s1
InChIKeyRFVODVRRGDCXMZ-KOLCDFICSA-N
MW241.31 g/mol
LogP1.58
Rot. Bonds6

About (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol

(2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol (PubChem CID 70141586) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol
PubChem CID70141586
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name(2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol
SMILESCCc1cnc(N(CC)C[C@H](F)[C@@H](C)O)nc1
InChIInChI=1S/C12H20FN3O/c1-4-10-6-14-12(15-7-10)16(5-2)8-11(13)9(3)17/h6-7,9,11,17H,4-5,8H2,1-3H3/t9-,11+/m1/s1
InChIKeyRFVODVRRGDCXMZ-KOLCDFICSA-N
XLogP1.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol?
The IUPAC name of (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol (CID 70141586) is (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol.
What is the SMILES notation for (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol?
The canonical SMILES for (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol is CCc1cnc(N(CC)C[C@H](F)[C@@H](C)O)nc1.
What is the InChIKey of (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol?
The InChIKey is RFVODVRRGDCXMZ-KOLCDFICSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-4-10-6-14-12(15-7-10)16(5-2)8-11(13)9(3)17/h6-7,9,11,17H,4-5,8H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol?
(2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[ethyl-(5-ethylpyrimidin-2-yl)amino]-3-fluorobutan-2-ol is sourced from PubChem (CID 70141586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).