5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine

C14H18N4O2S — CID 53490688

IUPAC5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C14H18N4O2S/c1-3-9-18(2)14-16-10-12(13(15)17-14)21(19,20)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,15,16,17)
InChIKeyKYKUUVIASFUPRR-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.74
Rot. Bonds5

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

5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 53490688) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID53490688
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C14H18N4O2S/c1-3-9-18(2)14-16-10-12(13(15)17-14)21(19,20)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,15,16,17)
InChIKeyKYKUUVIASFUPRR-UHFFFAOYSA-N
XLogP1.74
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 53490688) is 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1.
What is the InChIKey of 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is KYKUUVIASFUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-9-18(2)14-16-10-12(13(15)17-14)21(19,20)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine?
5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 306.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 53490688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).