1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione

C6H7FN2O3 — CID 130330216

IUPAC1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H](O)CF)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O3/c7-3-5(11)9-2-1-4(10)8-6(9)12/h1-2,5,11H,3H2,(H,8,10,12)/t5-/m1/s1
InChIKeyXZEPKIZRSDSCJR-RXMQYKEDSA-N
MW174.13 g/mol
LogP-1.00
Rot. Bonds2

About 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione

1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione (PubChem CID 130330216) has the molecular formula C6H7FN2O3 and a molecular weight of 174.13 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione
PubChem CID130330216
Molecular FormulaC6H7FN2O3
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H](O)CF)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O3/c7-3-5(11)9-2-1-4(10)8-6(9)12/h1-2,5,11H,3H2,(H,8,10,12)/t5-/m1/s1
InChIKeyXZEPKIZRSDSCJR-RXMQYKEDSA-N
XLogP-1.00
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyluracil
CID 12009
1-(3-Hydroxypropyl)-5-fluorouracil
CID 327429
1-Allyl-5-fluorouracil
CID 342611
1-(Ethoxymethyl)uracil
CID 642670
AC1Nrld4
CID 5242907
1-(2-Hydroxyethyl)pyrimidine-2,4(1H,3H)-dione
CID 11030057
Uracil-2-propenal
CID 6439796
(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-2-enal
CID 44386107
1-N-Acetyluracil
CID 319990
1-((2-Hydroxyethoxy)methyl)uracil
CID 453565
1-(3-Hydroxypropyl)uracil
CID 11600743
1-(4-Hydroxybutyl)uracil
CID 12353387

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione (CID 130330216) is 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione is O=c1ccn([C@H](O)CF)c(=O)[nH]1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione?
The InChIKey is XZEPKIZRSDSCJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7FN2O3/c7-3-5(11)9-2-1-4(10)8-6(9)12/h1-2,5,11H,3H2,(H,8,10,12)/t5-/m1/s1.
What are the key properties of 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione?
1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione has a molecular weight of 174.13 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-hydroxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 130330216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).