2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C13H15N3O2S — CID 142786204

IUPAC2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1ccccc1-c1nccc(N)n1
InChIInChI=1S/C13H15N3O2S/c1-9(2)19(17,18)11-6-4-3-5-10(11)13-15-8-7-12(14)16-13/h3-9H,1-2H3,(H2,14,15,16)
InChIKeyPKOIGVUWWPTSHW-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 142786204) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
PubChem CID142786204
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1ccccc1-c1nccc(N)n1
InChIInChI=1S/C13H15N3O2S/c1-9(2)19(17,18)11-6-4-3-5-10(11)13-15-8-7-12(14)16-13/h3-9H,1-2H3,(H2,14,15,16)
InChIKeyPKOIGVUWWPTSHW-UHFFFAOYSA-N
XLogP1.91
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
CID 90134190
[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea
CID 118046361
2-iodo-3-propan-2-ylsulfonylpyridine
CID 86669848
2-propan-2-ylsulfonylphenol
CID 587650
2-(2-methylquinolin-4-yl)pyrimidin-4-amine
CID 79234702
2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
CID 107514061
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-5-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
CID 174867568
2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride
CID 154906050
2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192811
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420
2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62202129
2-(4-propan-2-ylpyrimidin-2-yl)phenol
CID 136866665

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 142786204) is 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1ccccc1-c1nccc(N)n1.
What is the InChIKey of 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is PKOIGVUWWPTSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(2)19(17,18)11-6-4-3-5-10(11)13-15-8-7-12(14)16-13/h3-9H,1-2H3,(H2,14,15,16).
What are the key properties of 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 277.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 142786204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).