2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine

C12H18N4O2S — CID 82249387

IUPAC2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCN(C)S(=O)(=O)Nc1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C12H18N4O2S/c1-16(2)19(17,18)15-11-6-4-10(5-7-11)12-13-8-3-9-14-12/h4-7,15H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyWRLKOCIMXQTEMJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.64
Rot. Bonds4

About 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine

2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82249387) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82249387
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCN(C)S(=O)(=O)Nc1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C12H18N4O2S/c1-16(2)19(17,18)15-11-6-4-10(5-7-11)12-13-8-3-9-14-12/h4-7,15H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyWRLKOCIMXQTEMJ-UHFFFAOYSA-N
XLogP0.64
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82249387) is 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine is CN(C)S(=O)(=O)Nc1ccc(C2=NCCCN2)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is WRLKOCIMXQTEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-16(2)19(17,18)15-11-6-4-10(5-7-11)12-13-8-3-9-14-12/h4-7,15H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 282.37 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82249387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).