2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione

C12H14Cl2N4O2 — CID 158205893

IUPAC2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C.Cc1nc(Cl)nc(Cl)c1C
InChIInChI=1S/C6H6Cl2N2.C6H8N2O2/c1-3-4(2)9-6(8)10-5(3)7;1-3-4(2)7-6(10)8-5(3)9/h1-2H3;1-2H3,(H2,7,8,9,10)
InChIKeyGBMKHJBXOMYHAH-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.08
Rot. Bonds

About 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione

2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione (PubChem CID 158205893) has the molecular formula C12H14Cl2N4O2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione
PubChem CID158205893
Molecular FormulaC12H14Cl2N4O2
Molecular Weight317.18 g/mol
Exact Mass316.05
IUPAC Name2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C.Cc1nc(Cl)nc(Cl)c1C
InChIInChI=1S/C6H6Cl2N2.C6H8N2O2/c1-3-4(2)9-6(8)10-5(3)7;1-3-4(2)7-6(10)8-5(3)9/h1-2H3;1-2H3,(H2,7,8,9,10)
InChIKeyGBMKHJBXOMYHAH-UHFFFAOYSA-N
XLogP2.08
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione (CID 158205893) is 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1C.Cc1nc(Cl)nc(Cl)c1C.
What is the InChIKey of 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione?
The InChIKey is GBMKHJBXOMYHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2.C6H8N2O2/c1-3-4(2)9-6(8)10-5(3)7;1-3-4(2)7-6(10)8-5(3)9/h1-2H3;1-2H3,(H2,7,8,9,10).
What are the key properties of 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione?
2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione has a molecular weight of 317.18 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 158205893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).