(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione

C20H20N2O2 — CID 10853143

IUPAC(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione
SMILESO=C1[C@@H]2CCC[C@@H]2N(Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19-17-12-7-13-18(17)21(14-15-8-3-1-4-9-15)20(24)22(19)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2/t17-,18+/m1/s1
InChIKeyYOAYZLBXDFMTHJ-MSOLQXFVSA-N
MW320.39 g/mol
LogP3.82
Rot. Bonds3

About (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione

(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione (PubChem CID 10853143) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione
PubChem CID10853143
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione
SMILESO=C1[C@@H]2CCC[C@@H]2N(Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19-17-12-7-13-18(17)21(14-15-8-3-1-4-9-15)20(24)22(19)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2/t17-,18+/m1/s1
InChIKeyYOAYZLBXDFMTHJ-MSOLQXFVSA-N
XLogP3.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione with MolForge

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Related Compounds

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6-bromo-1-[(4-methylphenyl)methyl]-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 73371635
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CID 86091539
6-bromo-1-[(2-chlorophenyl)methyl]-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 73371632
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CID 75545038
N-benzyl-2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
CID 78418497
(4aR,7aS)-1-benzyl-2-sulfanylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
CID 10611381
(4aS,7aS)-1,3-dibenzyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-2-one
CID 102209940
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 97046899
(4aR,7aS)-3-phenyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
CID 14666787

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione (CID 10853143) is (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione is O=C1[C@@H]2CCC[C@@H]2N(Cc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is YOAYZLBXDFMTHJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-17-12-7-13-18(17)21(14-15-8-3-1-4-9-15)20(24)22(19)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2/t17-,18+/m1/s1.
What are the key properties of (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione?
(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 320.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 10853143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).