N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine

C18H17N3O4S2 — CID 19434385

IUPACN,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine
SMILESCS(=O)(=O)c1ccc(N(c2ccc(S(C)(=O)=O)cc2)c2cncnc2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-26(22,23)17-7-3-14(4-8-17)21(16-11-19-13-20-12-16)15-5-9-18(10-6-15)27(2,24)25/h3-13H,1-2H3
InChIKeyBSNBKMXRRZQMEI-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.75
Rot. Bonds5

About N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine

N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine (PubChem CID 19434385) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine
PubChem CID19434385
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC NameN,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine
SMILESCS(=O)(=O)c1ccc(N(c2ccc(S(C)(=O)=O)cc2)c2cncnc2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-26(22,23)17-7-3-14(4-8-17)21(16-11-19-13-20-12-16)15-5-9-18(10-6-15)27(2,24)25/h3-13H,1-2H3
InChIKeyBSNBKMXRRZQMEI-UHFFFAOYSA-N
XLogP2.75
TPSA97.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethyl-4-methylsulfonylaniline
CID 145223146
methyl-(4-methylsulfonylphenyl)cyanamide
CID 117043233
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
N-methyl-N-(4-methylsulfonylphenyl)-2-sulfanylacetamide
CID 115167078
1-ethyl-4-methylsulfonylbenzene
CID 143759723
N-(4-methylsulfonylphenoxy)methanamine
CID 140501519
4-methylsulfonyl-N,N-diphenylaniline;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 171922646
N-(2-chloroethyl)-4-methylsulfonyl-N-propylaniline
CID 55184252
N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
CID 46999308
2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole
CID 70341361
N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline
CID 22600055
4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride
CID 19080175

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine?
The IUPAC name of N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine (CID 19434385) is N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine.
What is the SMILES notation for N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine?
The canonical SMILES for N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine is CS(=O)(=O)c1ccc(N(c2ccc(S(C)(=O)=O)cc2)c2cncnc2)cc1.
What is the InChIKey of N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine?
The InChIKey is BSNBKMXRRZQMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-26(22,23)17-7-3-14(4-8-17)21(16-11-19-13-20-12-16)15-5-9-18(10-6-15)27(2,24)25/h3-13H,1-2H3.
What are the key properties of N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine?
N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine has a molecular weight of 403.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine is sourced from PubChem (CID 19434385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).