5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine

C15H20N4O3S — CID 53490770

IUPAC5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1
InChIInChI=1S/C15H20N4O3S/c1-4-9-19(2)15-17-10-13(14(16)18-15)23(20,21)12-7-5-11(22-3)6-8-12/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18)
InChIKeyDQEHERCRUCDLGV-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.75
Rot. Bonds6

About 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine

5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 53490770) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID53490770
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1
InChIInChI=1S/C15H20N4O3S/c1-4-9-19(2)15-17-10-13(14(16)18-15)23(20,21)12-7-5-11(22-3)6-8-12/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18)
InChIKeyDQEHERCRUCDLGV-UHFFFAOYSA-N
XLogP1.75
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 53490770) is 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCN(C)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is DQEHERCRUCDLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-9-19(2)15-17-10-13(14(16)18-15)23(20,21)12-7-5-11(22-3)6-8-12/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine?
5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 336.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 53490770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).