2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide

C21H22N4O2S — CID 139461992

IUPAC2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1CC1c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C21H22N4O2S/c22-28(26,27)20-9-5-4-8-16(20)17-14-18(17)19-11-13-24-21(25-19)23-12-10-15-6-2-1-3-7-15/h1-9,11,13,17-18H,10,12,14H2,(H2,22,26,27)(H,23,24,25)
InChIKeyDDPMUTXJESITFF-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.05
Rot. Bonds7

About 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide

2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide (PubChem CID 139461992) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
PubChem CID139461992
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1CC1c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C21H22N4O2S/c22-28(26,27)20-9-5-4-8-16(20)17-14-18(17)19-11-13-24-21(25-19)23-12-10-15-6-2-1-3-7-15/h1-9,11,13,17-18H,10,12,14H2,(H2,22,26,27)(H,23,24,25)
InChIKeyDDPMUTXJESITFF-UHFFFAOYSA-N
XLogP3.05
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
N-[[3-[2-(2-phenylethylamino)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58603675
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307837
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide (CID 139461992) is 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1C1CC1c1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The InChIKey is DDPMUTXJESITFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c22-28(26,27)20-9-5-4-8-16(20)17-14-18(17)19-11-13-24-21(25-19)23-12-10-15-6-2-1-3-7-15/h1-9,11,13,17-18H,10,12,14H2,(H2,22,26,27)(H,23,24,25).
What are the key properties of 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-phenylethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 139461992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).