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

C13H15N3O2S — CID 90134190

IUPAC4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)c1ccccc1-c1ccnc(N)n1
InChIInChI=1S/C13H15N3O2S/c1-9(2)19(17,18)12-6-4-3-5-10(12)11-7-8-15-13(14)16-11/h3-9H,1-2H3,(H2,14,15,16)
InChIKeyHUPNEAAXCPEXKD-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.91
Rot. Bonds3

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

4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 90134190) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
PubChem CID90134190
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)c1ccccc1-c1ccnc(N)n1
InChIInChI=1S/C13H15N3O2S/c1-9(2)19(17,18)12-6-4-3-5-10(12)11-7-8-15-13(14)16-11/h3-9H,1-2H3,(H2,14,15,16)
InChIKeyHUPNEAAXCPEXKD-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

2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142786204
4-(2-aminophenyl)pyrimidin-2-amine
CID 73441764
4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine
CID 141210561
2-iodo-3-propan-2-ylsulfonylpyridine
CID 86669848
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
2-propan-2-ylsulfonylphenol
CID 587650
4-(1-ethylindol-3-yl)pyrimidin-2-amine
CID 16750666
4-[2-(2-fluorophenoxy)-3-pyridinyl]pyrimidin-2-amine
CID 141385805
ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 143753819
4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 141253371
5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 130430959
5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 174688955

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine (CID 90134190) is 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine is CC(C)S(=O)(=O)c1ccccc1-c1ccnc(N)n1.
What is the InChIKey of 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is HUPNEAAXCPEXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(2)19(17,18)12-6-4-3-5-10(12)11-7-8-15-13(14)16-11/h3-9H,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine?
4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-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 4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 90134190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).