1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole

C12H17N5O4 — CID 67930071

IUPAC1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
SMILESCc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O.c1cn[nH]n1
InChIInChI=1S/C10H14N2O4.C2H3N3/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8;1-2-4-5-3-1/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15);1-2H,(H,3,4,5)/t7-,8+;/m0./s1
InChIKeyXMVQOTRURGKHJC-KZYPOYLOSA-N
MW295.30 g/mol
LogP-0.68
Rot. Bonds2

About 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole

1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole (PubChem CID 67930071) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole.

Molecular Properties

Compound Name1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
PubChem CID67930071
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
SMILESCc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O.c1cn[nH]n1
InChIInChI=1S/C10H14N2O4.C2H3N3/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8;1-2-4-5-3-1/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15);1-2H,(H,3,4,5)/t7-,8+;/m0./s1
InChIKeyXMVQOTRURGKHJC-KZYPOYLOSA-N
XLogP-0.68
TPSA125.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70261386
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
1-[7-(hydroxymethyl)-5-methylideneoxepan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174347825
1-[(6S)-6-(hydroxymethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167109570
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
CID 166965850
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 142985863
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole?
The IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole (CID 67930071) is 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole.
What is the SMILES notation for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole?
The canonical SMILES for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole is Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O.c1cn[nH]n1.
What is the InChIKey of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole?
The InChIKey is XMVQOTRURGKHJC-KZYPOYLOSA-N. The full InChI is InChI=1S/C10H14N2O4.C2H3N3/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8;1-2-4-5-3-1/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15);1-2H,(H,3,4,5)/t7-,8+;/m0./s1.
What are the key properties of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole?
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole has a molecular weight of 295.30 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole is sourced from PubChem (CID 67930071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).