6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione

C11H9ClN2O2 — CID 15046223

IUPAC6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(-c2ccccc2)c1=O
InChIInChI=1S/C11H9ClN2O2/c1-13-10(15)7-9(12)14(11(13)16)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyDKGXIVRSAKPDHF-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.19
Rot. Bonds1

About 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione

6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione (PubChem CID 15046223) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione
PubChem CID15046223
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(-c2ccccc2)c1=O
InChIInChI=1S/C11H9ClN2O2/c1-13-10(15)7-9(12)14(11(13)16)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyDKGXIVRSAKPDHF-UHFFFAOYSA-N
XLogP1.19
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione (CID 15046223) is 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione is Cn1c(=O)cc(Cl)n(-c2ccccc2)c1=O.
What is the InChIKey of 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione?
The InChIKey is DKGXIVRSAKPDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-13-10(15)7-9(12)14(11(13)16)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione?
6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione has a molecular weight of 236.66 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 15046223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).