4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one

C11H18FN3O4 — CID 70854217

IUPAC4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one
SMILESCC(O)C(O[C@H](CF)n1ccc(N)nc1=O)[C@H](C)O
InChIInChI=1S/C11H18FN3O4/c1-6(16)10(7(2)17)19-9(5-12)15-4-3-8(13)14-11(15)18/h3-4,6-7,9-10,16-17H,5H2,1-2H3,(H2,13,14,18)/t6-,7?,9+,10?/m0/s1
InChIKeyHUKMKFBZCKFZFK-KEQQSLRCSA-N
MW275.28 g/mol
LogP-0.56
Rot. Bonds6

About 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one

4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one (PubChem CID 70854217) has the molecular formula C11H18FN3O4 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one
PubChem CID70854217
Molecular FormulaC11H18FN3O4
Molecular Weight275.28 g/mol
Exact Mass275.13
IUPAC Name4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one
SMILESCC(O)C(O[C@H](CF)n1ccc(N)nc1=O)[C@H](C)O
InChIInChI=1S/C11H18FN3O4/c1-6(16)10(7(2)17)19-9(5-12)15-4-3-8(13)14-11(15)18/h3-4,6-7,9-10,16-17H,5H2,1-2H3,(H2,13,14,18)/t6-,7?,9+,10?/m0/s1
InChIKeyHUKMKFBZCKFZFK-KEQQSLRCSA-N
XLogP-0.56
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one (CID 70854217) is 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one is CC(O)C(O[C@H](CF)n1ccc(N)nc1=O)[C@H](C)O.
What is the InChIKey of 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one?
The InChIKey is HUKMKFBZCKFZFK-KEQQSLRCSA-N. The full InChI is InChI=1S/C11H18FN3O4/c1-6(16)10(7(2)17)19-9(5-12)15-4-3-8(13)14-11(15)18/h3-4,6-7,9-10,16-17H,5H2,1-2H3,(H2,13,14,18)/t6-,7?,9+,10?/m0/s1.
What are the key properties of 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one?
4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one has a molecular weight of 275.28 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one is sourced from PubChem (CID 70854217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).