6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione

C12H13N3O2 — CID 737912

IUPAC6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C
InChIInChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)
InChIKeyDXOQUXIEIBVQHC-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.42
Rot. Bonds2

About 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione

6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione (PubChem CID 737912) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
PubChem CID737912
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C
InChIInChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)
InChIKeyDXOQUXIEIBVQHC-UHFFFAOYSA-N
XLogP1.42
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione (CID 737912) is 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione is Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C.
What is the InChIKey of 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione?
The InChIKey is DXOQUXIEIBVQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione?
6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 737912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).