1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea

C14H16N4O3S — CID 21285450

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea
SMILESCc1cc(C)nc(N(C(=O)NS(C)(=O)=O)c2ccccc2)n1
InChIInChI=1S/C14H16N4O3S/c1-10-9-11(2)16-13(15-10)18(12-7-5-4-6-8-12)14(19)17-22(3,20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyVMNYJUBTAWBQBA-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.90
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea

1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea (PubChem CID 21285450) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea
PubChem CID21285450
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea
SMILESCc1cc(C)nc(N(C(=O)NS(C)(=O)=O)c2ccccc2)n1
InChIInChI=1S/C14H16N4O3S/c1-10-9-11(2)16-13(15-10)18(12-7-5-4-6-8-12)14(19)17-22(3,20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyVMNYJUBTAWBQBA-UHFFFAOYSA-N
XLogP1.90
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91736105
1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea
CID 22750964
N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine
CID 165179719
[4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid
CID 67693508
1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea
CID 54322426
1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea
CID 13191141
N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine
CID 157167621
(2S)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)butanamide
CID 94012165
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
N-(2,6-dimethylphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336042
6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334971
1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea
CID 70606854

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea (CID 21285450) is 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea is Cc1cc(C)nc(N(C(=O)NS(C)(=O)=O)c2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea?
The InChIKey is VMNYJUBTAWBQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-10-9-11(2)16-13(15-10)18(12-7-5-4-6-8-12)14(19)17-22(3,20)21/h4-9H,1-3H3,(H,17,19).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea?
1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea has a molecular weight of 320.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea is sourced from PubChem (CID 21285450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).