1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione

C13H18N2O6 — CID 25228725

IUPAC1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@]3(O)CCOC[C@]3(CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N2O6/c1-8-5-15(11(18)14-10(8)17)9-4-12(19)2-3-20-7-13(12,6-16)21-9/h5,9,16,19H,2-4,6-7H2,1H3,(H,14,17,18)/t9-,12-,13+/m1/s1
InChIKeyHLIWPPDYAWEGIX-WQAKAFBOSA-N
MW298.30 g/mol
LogP-1.35
Rot. Bonds2

About 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 25228725) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID25228725
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@]3(O)CCOC[C@]3(CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N2O6/c1-8-5-15(11(18)14-10(8)17)9-4-12(19)2-3-20-7-13(12,6-16)21-9/h5,9,16,19H,2-4,6-7H2,1H3,(H,14,17,18)/t9-,12-,13+/m1/s1
InChIKeyHLIWPPDYAWEGIX-WQAKAFBOSA-N
XLogP-1.35
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190454
1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102285706
1-[(2R,5S)-5-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 138485351
1-[(2R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59278856
1-[(2R,3aR,7aR)-7a-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3a-phenylmethoxy-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione
CID 25228724
1-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90673981
1-[4-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22555905
1-[(2R,4S,5R)-5-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333771
1-[(2R,4R,5R)-4-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22881706
1-[5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 110194722
1-[(1S,5R,7R,8R)-8-hydroxy-5-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
CID 174149039
(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 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione (CID 25228725) is 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@]3(O)CCOC[C@]3(CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is HLIWPPDYAWEGIX-WQAKAFBOSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-8-5-15(11(18)14-10(8)17)9-4-12(19)2-3-20-7-13(12,6-16)21-9/h5,9,16,19H,2-4,6-7H2,1H3,(H,14,17,18)/t9-,12-,13+/m1/s1.
What are the key properties of 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aR,7aS)-3a-hydroxy-7a-(hydroxymethyl)-3,4,5,7-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 25228725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).