2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C13H13Cl2N3O2S — CID 59764378

IUPAC2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H13Cl2N3O2S/c1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)
InChIKeyWWVLDJAVSQZSKO-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.71
Rot. Bonds4

About 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 59764378) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
PubChem CID59764378
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H13Cl2N3O2S/c1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)
InChIKeyWWVLDJAVSQZSKO-UHFFFAOYSA-N
XLogP3.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 59764378) is 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is WWVLDJAVSQZSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 346.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 59764378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).