(4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine

C9H15N3O2S — CID 83852543

IUPAC(4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine
SMILESCC(C)c1ncc(CN)c(S(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-6(2)8-11-5-7(4-10)9(12-8)15(3,13)14/h5-6H,4,10H2,1-3H3
InChIKeyMWTSQBCTWUFPFV-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.46
Rot. Bonds3

About (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine

(4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine (PubChem CID 83852543) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine
PubChem CID83852543
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine
SMILESCC(C)c1ncc(CN)c(S(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-6(2)8-11-5-7(4-10)9(12-8)15(3,13)14/h5-6H,4,10H2,1-3H3
InChIKeyMWTSQBCTWUFPFV-UHFFFAOYSA-N
XLogP0.46
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175
(4-chloro-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83851947
[5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol
CID 68963442
5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64643270
5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one
CID 133057501
5-(aminomethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82502995
(5-propan-2-yl-1,2-thiazol-4-yl)methanamine
CID 82416048
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine
CID 177012504
[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine
CID 104522601
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79864352

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine?
The IUPAC name of (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine (CID 83852543) is (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine?
The canonical SMILES for (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine is CC(C)c1ncc(CN)c(S(C)(=O)=O)n1.
What is the InChIKey of (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine?
The InChIKey is MWTSQBCTWUFPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)8-11-5-7(4-10)9(12-8)15(3,13)14/h5-6H,4,10H2,1-3H3.
What are the key properties of (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine?
(4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine has a molecular weight of 229.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 83852543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).