N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine

C10H17N3O2S — CID 62474014

IUPACN-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O2S/c1-7(2)8-5-9(11-3)13-10(12-8)6-16(4,14)15/h5,7H,6H2,1-4H3,(H,11,12,13)
InChIKeyFRVUCFMISRZKQV-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine

N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62474014) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID62474014
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O2S/c1-7(2)8-5-9(11-3)13-10(12-8)6-16(4,14)15/h5,7H,6H2,1-4H3,(H,11,12,13)
InChIKeyFRVUCFMISRZKQV-UHFFFAOYSA-N
XLogP1.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62475276
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137505
2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62830386
2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 65144459
6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine
CID 62474013
4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine
CID 58137114
N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62190941
N-methyl-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192524
2-(benzenesulfonylmethyl)-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169741
4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
CID 52602693
2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79427323

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine (CID 62474014) is N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine is CNc1cc(C(C)C)nc(CS(C)(=O)=O)n1.
What is the InChIKey of N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is FRVUCFMISRZKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)8-5-9(11-3)13-10(12-8)6-16(4,14)15/h5,7H,6H2,1-4H3,(H,11,12,13).
What are the key properties of N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine?
N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 243.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62474014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).