2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide

C12H15N5O2S — CID 107589827

IUPAC2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)Nc2cncnc2)ccn1
InChIInChI=1S/C12H15N5O2S/c1-2-4-15-12-6-11(3-5-16-12)20(18,19)17-10-7-13-9-14-8-10/h3,5-9,17H,2,4H2,1H3,(H,15,16)
InChIKeyHEJHCIUMQIXAFF-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.49
Rot. Bonds6

About 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide

2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide (PubChem CID 107589827) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
PubChem CID107589827
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)Nc2cncnc2)ccn1
InChIInChI=1S/C12H15N5O2S/c1-2-4-15-12-6-11(3-5-16-12)20(18,19)17-10-7-13-9-14-8-10/h3,5-9,17H,2,4H2,1H3,(H,15,16)
InChIKeyHEJHCIUMQIXAFF-UHFFFAOYSA-N
XLogP1.49
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
N-(dicyclopropylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62152445
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 65479983
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62151053
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 62143671
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106376666
2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 106283483
N-(4-hydroxycyclohexyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62150249
N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 62146358
N-(1-cyclopropylpropan-2-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 63995589

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide?
The IUPAC name of 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide (CID 107589827) is 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide.
What is the SMILES notation for 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide?
The canonical SMILES for 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)Nc2cncnc2)ccn1.
What is the InChIKey of 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide?
The InChIKey is HEJHCIUMQIXAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-2-4-15-12-6-11(3-5-16-12)20(18,19)17-10-7-13-9-14-8-10/h3,5-9,17H,2,4H2,1H3,(H,15,16).
What are the key properties of 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide?
2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide is sourced from PubChem (CID 107589827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).