6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one

C12H18N2O5 — CID 163525585

IUPAC6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one
SMILESCC1(C)OC2C(O1)[C@@H](O)C[C@H]2N1C=CC(O)NC1=O
InChIInChI=1S/C12H18N2O5/c1-12(2)18-9-6(5-7(15)10(9)19-12)14-4-3-8(16)13-11(14)17/h3-4,6-10,15-16H,5H2,1-2H3,(H,13,17)/t6-,7+,8?,9?,10?/m1/s1
InChIKeyDOMDRQLRDLUXKI-LXWZSJDBSA-N
MW270.28 g/mol
LogP-0.50
Rot. Bonds1

About 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one

6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one (PubChem CID 163525585) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one
PubChem CID163525585
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one
SMILESCC1(C)OC2C(O1)[C@@H](O)C[C@H]2N1C=CC(O)NC1=O
InChIInChI=1S/C12H18N2O5/c1-12(2)18-9-6(5-7(15)10(9)19-12)14-4-3-8(16)13-11(14)17/h3-4,6-10,15-16H,5H2,1-2H3,(H,13,17)/t6-,7+,8?,9?,10?/m1/s1
InChIKeyDOMDRQLRDLUXKI-LXWZSJDBSA-N
XLogP-0.50
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one?
The IUPAC name of 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one (CID 163525585) is 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one is CC1(C)OC2C(O1)[C@@H](O)C[C@H]2N1C=CC(O)NC1=O.
What is the InChIKey of 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one?
The InChIKey is DOMDRQLRDLUXKI-LXWZSJDBSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-12(2)18-9-6(5-7(15)10(9)19-12)14-4-3-8(16)13-11(14)17/h3-4,6-10,15-16H,5H2,1-2H3,(H,13,17)/t6-,7+,8?,9?,10?/m1/s1.
What are the key properties of 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one?
6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one has a molecular weight of 270.28 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 163525585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).