(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile

C10H11N3O4 — CID 54125745

IUPAC(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#C[C@@]1(CO)CC[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C10H11N3O4/c11-5-10(6-14)3-1-8(17-10)13-4-2-7(15)12-9(13)16/h2,4,8,14H,1,3,6H2,(H,12,15,16)/t8-,10-/m1/s1
InChIKeyNQVGMDUKNPUZAK-PSASIEDQSA-N
MW237.21 g/mol
LogP-0.90
Rot. Bonds2

About (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile

(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile (PubChem CID 54125745) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile.

Molecular Properties

Compound Name(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile
PubChem CID54125745
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#C[C@@]1(CO)CC[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C10H11N3O4/c11-5-10(6-14)3-1-8(17-10)13-4-2-7(15)12-9(13)16/h2,4,8,14H,1,3,6H2,(H,12,15,16)/t8-,10-/m1/s1
InChIKeyNQVGMDUKNPUZAK-PSASIEDQSA-N
XLogP-0.90
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5S)-2-cyano-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 67875666
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 19775087
1-[(5R)-5-cyclopropyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 154937522
1-[(2S,6S,8S)-8-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-2-yl]pyrimidine-2,4-dione
CID 25269719
5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 137100612
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 510970
1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10105161
1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 67875653
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4S)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70294441
1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18783254
(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropyl)oxolane-2-carbonitrile
CID 54264197

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile?
The IUPAC name of (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile (CID 54125745) is (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile.
What is the SMILES notation for (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile?
The canonical SMILES for (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile is N#C[C@@]1(CO)CC[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile?
The InChIKey is NQVGMDUKNPUZAK-PSASIEDQSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-5-10(6-14)3-1-8(17-10)13-4-2-7(15)12-9(13)16/h2,4,8,14H,1,3,6H2,(H,12,15,16)/t8-,10-/m1/s1.
What are the key properties of (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile?
(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile has a molecular weight of 237.21 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile is sourced from PubChem (CID 54125745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).