1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione

C17H18N2O7 — CID 11024851

IUPAC1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione
SMILESCOc1ccc([C@H]2O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)OC[C@H]3O2)cc1
InChIInChI=1S/C17H18N2O7/c1-23-10-4-2-9(3-5-10)16-25-11-8-24-15(13(21)14(11)26-16)19-7-6-12(20)18-17(19)22/h2-7,11,13-16,21H,8H2,1H3,(H,18,20,22)/t11-,13-,14-,15-,16-/m1/s1
InChIKeyGFZTZZVIKYOXSZ-JPIRQXTESA-N
MW362.34 g/mol
LogP-0.08
Rot. Bonds3

About 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione

1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione (PubChem CID 11024851) has the molecular formula C17H18N2O7 and a molecular weight of 362.34 g/mol. Its IUPAC name is 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione
PubChem CID11024851
Molecular FormulaC17H18N2O7
Molecular Weight362.34 g/mol
Exact Mass362.11
IUPAC Name1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione
SMILESCOc1ccc([C@H]2O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)OC[C@H]3O2)cc1
InChIInChI=1S/C17H18N2O7/c1-23-10-4-2-9(3-5-10)16-25-11-8-24-15(13(21)14(11)26-16)19-7-6-12(20)18-17(19)22/h2-7,11,13-16,21H,8H2,1H3,(H,18,20,22)/t11-,13-,14-,15-,16-/m1/s1
InChIKeyGFZTZZVIKYOXSZ-JPIRQXTESA-N
XLogP-0.08
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(1R,3R,4R,5R)-4-hydroxy-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 11806364
1-[(3aS,6S,7R,7aR)-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione
CID 712440
1-[(3aR,5R,6R,6aR)-3,6-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
CID 102450103
1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
1-[(2R,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70956068
1-[(2S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 69009867
1-[(2R,4S,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953345
1-[(2R,3R,4S,5S)-4-amino-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 102439160
1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 124898084
1-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 51689230
1-[(1S,6S)-7-hydroxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-8-yl]pyrimidine-2,4-dione
CID 58940322
1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-(2,3,4,5-13C4)furano[3,2-f](6,7,8-13C3)[1,3,5,2,4]trioxadisilocin-8-yl](1,3-15N2)pyrimidine-2,4-dione
CID 131709876

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione (CID 11024851) is 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione is COc1ccc([C@H]2O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)OC[C@H]3O2)cc1.
What is the InChIKey of 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione?
The InChIKey is GFZTZZVIKYOXSZ-JPIRQXTESA-N. The full InChI is InChI=1S/C17H18N2O7/c1-23-10-4-2-9(3-5-10)16-25-11-8-24-15(13(21)14(11)26-16)19-7-6-12(20)18-17(19)22/h2-7,11,13-16,21H,8H2,1H3,(H,18,20,22)/t11-,13-,14-,15-,16-/m1/s1.
What are the key properties of 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione?
1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione has a molecular weight of 362.34 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aR,6R,7R,7aS)-7-hydroxy-2-(4-methoxyphenyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 11024851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).