1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione

C15H19N3O2S — CID 99822152

IUPAC1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione
SMILESCSc1cccc(N(C)Cc2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C15H19N3O2S/c1-16(12-6-5-7-13(8-12)21-4)9-11-10-17(2)15(20)18(3)14(11)19/h5-8,10H,9H2,1-4H3
InChIKeySOQPPYPRHALQFW-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.44
Rot. Bonds4

About 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione (PubChem CID 99822152) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione
PubChem CID99822152
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione
SMILESCSc1cccc(N(C)Cc2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C15H19N3O2S/c1-16(12-6-5-7-13(8-12)21-4)9-11-10-17(2)15(20)18(3)14(11)19/h5-8,10H,9H2,1-4H3
InChIKeySOQPPYPRHALQFW-UHFFFAOYSA-N
XLogP1.44
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione (CID 99822152) is 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione is CSc1cccc(N(C)Cc2cn(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione?
The InChIKey is SOQPPYPRHALQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16(12-6-5-7-13(8-12)21-4)9-11-10-17(2)15(20)18(3)14(11)19/h5-8,10H,9H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione has a molecular weight of 305.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(N-methyl-3-methylsulfanylanilino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 99822152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).