(7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione

C15H16N2O3 — CID 927788

IUPAC(7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC[C@@H](c1ccccc1)O2
InChIInChI=1S/C15H16N2O3/c1-16-13(18)11-8-9-12(10-6-4-3-5-7-10)20-14(11)17(2)15(16)19/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyLSNPNANMYYUNKB-LBPRGKRZSA-N
MW272.30 g/mol
LogP1.15
Rot. Bonds1

About (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione

(7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione (PubChem CID 927788) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
PubChem CID927788
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC[C@@H](c1ccccc1)O2
InChIInChI=1S/C15H16N2O3/c1-16-13(18)11-8-9-12(10-6-4-3-5-7-10)20-14(11)17(2)15(16)19/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyLSNPNANMYYUNKB-LBPRGKRZSA-N
XLogP1.15
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione (CID 927788) is (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CC[C@@H](c1ccccc1)O2.
What is the InChIKey of (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LSNPNANMYYUNKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-13(18)11-8-9-12(10-6-4-3-5-7-10)20-14(11)17(2)15(16)19/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
(7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 927788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).