1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

C16H18N2O4 — CID 102285706

IUPAC1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CC[C@](CO)(c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O4/c1-11-9-18(15(21)17-14(11)20)13-7-8-16(10-19,22-13)12-5-3-2-4-6-12/h2-6,9,13,19H,7-8,10H2,1H3,(H,17,20,21)/t13-,16-/m0/s1
InChIKeyDLGGTUMBFAKMHU-BBRMVZONSA-N
MW302.33 g/mol
LogP1.04
Rot. Bonds3

About 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 102285706) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID102285706
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CC[C@](CO)(c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O4/c1-11-9-18(15(21)17-14(11)20)13-7-8-16(10-19,22-13)12-5-3-2-4-6-12/h2-6,9,13,19H,7-8,10H2,1H3,(H,17,20,21)/t13-,16-/m0/s1
InChIKeyDLGGTUMBFAKMHU-BBRMVZONSA-N
XLogP1.04
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190454
1-[(2R,5S)-5-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 138485351
1-[(2S,5S)-5-(hydroxymethyl)-2-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68866088
1-[(2R,4S,5S)-5-benzoyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333774
(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropyl)oxolane-2-carbonitrile
CID 54264197
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
[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
CID 23644479
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54043591
1-[(2R,4S,5R)-5-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333771
1-[(2R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59278856
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-propanoyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333772

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 102285706) is 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2CC[C@](CO)(c3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is DLGGTUMBFAKMHU-BBRMVZONSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-9-18(15(21)17-14(11)20)13-7-8-16(10-19,22-13)12-5-3-2-4-6-12/h2-6,9,13,19H,7-8,10H2,1H3,(H,17,20,21)/t13-,16-/m0/s1.
What are the key properties of 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102285706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).