2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine

C12H15N5O2S — CID 62749480

IUPAC2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
SMILESCc1nccc(CNc2cccc(NS(N)(=O)=O)c2)n1
InChIInChI=1S/C12H15N5O2S/c1-9-14-6-5-12(16-9)8-15-10-3-2-4-11(7-10)17-20(13,18)19/h2-7,15,17H,8H2,1H3,(H2,13,18,19)
InChIKeyBLYYRKFUEYHHAU-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.01
Rot. Bonds5

About 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine

2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine (PubChem CID 62749480) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
PubChem CID62749480
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
SMILESCc1nccc(CNc2cccc(NS(N)(=O)=O)c2)n1
InChIInChI=1S/C12H15N5O2S/c1-9-14-6-5-12(16-9)8-15-10-3-2-4-11(7-10)17-20(13,18)19/h2-7,15,17H,8H2,1H3,(H2,13,18,19)
InChIKeyBLYYRKFUEYHHAU-UHFFFAOYSA-N
XLogP1.01
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747342
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
3-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanoic acid
CID 122044243
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62747530
4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747165
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
CID 43742059
3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62810194
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine?
The IUPAC name of 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine (CID 62749480) is 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine?
The canonical SMILES for 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine is Cc1nccc(CNc2cccc(NS(N)(=O)=O)c2)n1.
What is the InChIKey of 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine?
The InChIKey is BLYYRKFUEYHHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-9-14-6-5-12(16-9)8-15-10-3-2-4-11(7-10)17-20(13,18)19/h2-7,15,17H,8H2,1H3,(H2,13,18,19).
What are the key properties of 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine?
2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine has a molecular weight of 293.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine is sourced from PubChem (CID 62749480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).