N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide

C14H18N4O2S — CID 62144387

IUPACN-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C14H18N4O2S/c1-3-8-15-14-16-9-13(10-17-14)21(19,20)18-12-6-4-11(2)5-7-12/h4-7,9-10,18H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyPUWRHFPHNHWUAD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.41
Rot. Bonds6

About N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide

N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62144387) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62144387
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C14H18N4O2S/c1-3-8-15-14-16-9-13(10-17-14)21(19,20)18-12-6-4-11(2)5-7-12/h4-7,9-10,18H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyPUWRHFPHNHWUAD-UHFFFAOYSA-N
XLogP2.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
CID 66353570
2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 61329110
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
2-(ethylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150826
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
6-amino-5-methyl-N-(4-methylphenyl)pyridine-3-sulfonamide
CID 98020919
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62150752

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide (CID 62144387) is N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)Nc2ccc(C)cc2)cn1.
What is the InChIKey of N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is PUWRHFPHNHWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-8-15-14-16-9-13(10-17-14)21(19,20)18-12-6-4-11(2)5-7-12/h4-7,9-10,18H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide?
N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62144387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).