7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione

C20H20ClN5O4 — CID 155883549

IUPAC7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione
SMILESO=C1C=CN2C(=O)N(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)CCC2N1
InChIInChI=1S/C20H20ClN5O4/c21-14-3-1-12(2-4-14)15-9-13(11-29-15)19-23-18(30-24-19)10-25-7-5-16-22-17(27)6-8-26(16)20(25)28/h1-4,6,8,13,15-16H,5,7,9-11H2,(H,22,27)/t13-,15+,16?/m0/s1
InChIKeyZOVLCRMCXORKMD-GVJPCGBOSA-N
MW429.86 g/mol
LogP2.57
Rot. Bonds4

About 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione

7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione (PubChem CID 155883549) has the molecular formula C20H20ClN5O4 and a molecular weight of 429.86 g/mol. Its IUPAC name is 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione.

Molecular Properties

Compound Name7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione
PubChem CID155883549
Molecular FormulaC20H20ClN5O4
Molecular Weight429.86 g/mol
Exact Mass429.12
IUPAC Name7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione
SMILESO=C1C=CN2C(=O)N(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)CCC2N1
InChIInChI=1S/C20H20ClN5O4/c21-14-3-1-12(2-4-14)15-9-13(11-29-15)19-23-18(30-24-19)10-25-7-5-16-22-17(27)6-8-26(16)20(25)28/h1-4,6,8,13,15-16H,5,7,9-11H2,(H,22,27)/t13-,15+,16?/m0/s1
InChIKeyZOVLCRMCXORKMD-GVJPCGBOSA-N
XLogP2.57
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione?
The IUPAC name of 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione (CID 155883549) is 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione.
What is the SMILES notation for 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione?
The canonical SMILES for 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione is O=C1C=CN2C(=O)N(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)CCC2N1.
What is the InChIKey of 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione?
The InChIKey is ZOVLCRMCXORKMD-GVJPCGBOSA-N. The full InChI is InChI=1S/C20H20ClN5O4/c21-14-3-1-12(2-4-14)15-9-13(11-29-15)19-23-18(30-24-19)10-25-7-5-16-22-17(27)6-8-26(16)20(25)28/h1-4,6,8,13,15-16H,5,7,9-11H2,(H,22,27)/t13-,15+,16?/m0/s1.
What are the key properties of 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione?
7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione has a molecular weight of 429.86 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione is sourced from PubChem (CID 155883549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).