1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

C9H12FN3O4 — CID 71340660

IUPAC1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESNCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1F
InChIInChI=1S/C9H12FN3O4/c10-6-4(3-11)17-8(7(6)15)13-2-1-5(14)12-9(13)16/h1-2,4,6-8,15H,3,11H2,(H,12,14,16)
InChIKeyRRILDHLVUPYCCN-UHFFFAOYSA-N
MW245.21 g/mol
LogP-1.91
Rot. Bonds2

About 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 71340660) has the molecular formula C9H12FN3O4 and a molecular weight of 245.21 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID71340660
Molecular FormulaC9H12FN3O4
Molecular Weight245.21 g/mol
Exact Mass245.08
IUPAC Name1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESNCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1F
InChIInChI=1S/C9H12FN3O4/c10-6-4(3-11)17-8(7(6)15)13-2-1-5(14)12-9(13)16/h1-2,4,6-8,15H,3,11H2,(H,12,14,16)
InChIKeyRRILDHLVUPYCCN-UHFFFAOYSA-N
XLogP-1.91
TPSA110.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
[(2S,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate
CID 11560059
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164998419
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57259416

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (CID 71340660) is 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is NCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1F.
What is the InChIKey of 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is RRILDHLVUPYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O4/c10-6-4(3-11)17-8(7(6)15)13-2-1-5(14)12-9(13)16/h1-2,4,6-8,15H,3,11H2,(H,12,14,16).
What are the key properties of 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 245.21 g/mol, XLogP of -1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 71340660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).