N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine

C9H15N3O2S — CID 133386855

IUPACN-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
SMILESCC(CCS(C)(=O)=O)Nc1ncccn1
InChIInChI=1S/C9H15N3O2S/c1-8(4-7-15(2,13)14)12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12)
InChIKeyRRFWLEKWQXADLU-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.71
Rot. Bonds5

About N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine

N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine (PubChem CID 133386855) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
PubChem CID133386855
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
SMILESCC(CCS(C)(=O)=O)Nc1ncccn1
InChIInChI=1S/C9H15N3O2S/c1-8(4-7-15(2,13)14)12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12)
InChIKeyRRFWLEKWQXADLU-UHFFFAOYSA-N
XLogP0.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
CID 133386738
2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763
N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717
2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine
CID 132969306
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
N-pent-4-yn-2-ylpyrimidin-2-amine
CID 115658926
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
CID 114984570
3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol
CID 62608221
5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386780
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714
6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
CID 133375005
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine (CID 133386855) is N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine is CC(CCS(C)(=O)=O)Nc1ncccn1.
What is the InChIKey of N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is RRFWLEKWQXADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8(4-7-15(2,13)14)12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12).
What are the key properties of N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine?
N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 229.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 133386855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).