6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine

C19H20N4O2S — CID 1489533

IUPAC6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(CS(=O)(=O)c2ccccc2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H20N4O2S/c1-14(2)21-18-11-16(13-26(24,25)17-8-4-3-5-9-17)22-19(23-18)15-7-6-10-20-12-15/h3-12,14H,13H2,1-2H3,(H,21,22,23)
InChIKeyLJLUOVKSUWXCAA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.33
Rot. Bonds6

About 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine

6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 1489533) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID1489533
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(CS(=O)(=O)c2ccccc2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H20N4O2S/c1-14(2)21-18-11-16(13-26(24,25)17-8-4-3-5-9-17)22-19(23-18)15-7-6-10-20-12-15/h3-12,14H,13H2,1-2H3,(H,21,22,23)
InChIKeyLJLUOVKSUWXCAA-UHFFFAOYSA-N
XLogP3.33
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
ethyl 2-[6-(benzenesulfonylmethyl)-2-phenylpyrimidin-4-yl]sulfanylpropanoate
CID 2767412
(2S)-N-[[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 92610446
N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316513
3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 133490846
N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133356492
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332686
6-methyl-N-propan-2-yl-2-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155233683
6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82169826
N-(6-phenylpyridazin-3-yl)pyridine-3-sulfonamide
CID 86806095

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine (CID 1489533) is 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine is CC(C)Nc1cc(CS(=O)(=O)c2ccccc2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is LJLUOVKSUWXCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14(2)21-18-11-16(13-26(24,25)17-8-4-3-5-9-17)22-19(23-18)15-7-6-10-20-12-15/h3-12,14H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine?
6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 368.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 1489533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).