4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine

C12H19N3O2S — CID 75430003

IUPAC4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2(CS(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-9-6-10(2)15-11(14-9)13-7-12(4-5-12)8-18(3,16)17/h6H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyBXYWCECXHZMBLA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.33
Rot. Bonds5

About 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine

4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine (PubChem CID 75430003) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
PubChem CID75430003
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2(CS(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-9-6-10(2)15-11(14-9)13-7-12(4-5-12)8-18(3,16)17/h6H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyBXYWCECXHZMBLA-UHFFFAOYSA-N
XLogP1.33
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-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

2-(2-Ethanesulfonyl-ethylsulfanyl)-4,6-dimethyl-pyrimidine
CID 656348
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}butane-1-sulfonamide
CID 71797010
2-[(4,6-Dimethylpyrimidin-2-yl)amino]ethanethiol
CID 3136555
N-[2-(isobutylsulfonyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 50956927
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}cyclopropanesulfonamide
CID 71797009
2-cyclobutyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 132389768
4-ethyl-N-[[(3R)-3-methoxy-1,1-dioxothiolan-3-yl]methyl]-6-methylpyrimidin-2-amine
CID 164632473
N-(cyclobutylmethyl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide
CID 75452880
1-(methylsulfonyl)-N-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}propan-2-amine
CID 124212441
(2R)-1-methylsulfonyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propan-2-amine
CID 125522199
(2S)-1-methylsulfonyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propan-2-amine
CID 125522200
N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 126812512

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine (CID 75430003) is 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCC2(CS(C)(=O)=O)CC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The InChIKey is BXYWCECXHZMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-6-10(2)15-11(14-9)13-7-12(4-5-12)8-18(3,16)17/h6H,4-5,7-8H2,1-3H3,(H,13,14,15).
What are the key properties of 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 75430003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).