1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione

C18H16N2O2 — CID 576581

IUPAC1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C18H16N2O2/c1-19-16(14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)17(21)20(2)18(19)22/h3-12H,1-2H3
InChIKeyBGCSFDKAHCRVDN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.42
Rot. Bonds2

About 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione

1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione (PubChem CID 576581) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione
PubChem CID576581
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C18H16N2O2/c1-19-16(14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)17(21)20(2)18(19)22/h3-12H,1-2H3
InChIKeyBGCSFDKAHCRVDN-UHFFFAOYSA-N
XLogP2.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione (CID 576581) is 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione is Cn1c(-c2ccccc2)c(-c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione?
The InChIKey is BGCSFDKAHCRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-19-16(14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)17(21)20(2)18(19)22/h3-12H,1-2H3.
What are the key properties of 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione?
1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione is sourced from PubChem (CID 576581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).