N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide

C17H25N5O2S — CID 122293512

IUPACN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCCNc1cc(NCCNS(=O)(=O)Cc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C17H25N5O2S/c1-4-18-16-11-17(22-14(3)21-16)19-9-10-20-25(23,24)12-15-7-5-13(2)6-8-15/h5-8,11,20H,4,9-10,12H2,1-3H3,(H2,18,19,21,22)
InChIKeyIJVUYEFVNSCNHY-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.06
Rot. Bonds9

About N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 122293512) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID122293512
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCCNc1cc(NCCNS(=O)(=O)Cc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C17H25N5O2S/c1-4-18-16-11-17(22-14(3)21-16)19-9-10-20-25(23,24)12-15-7-5-13(2)6-8-15/h5-8,11,20H,4,9-10,12H2,1-3H3,(H2,18,19,21,22)
InChIKeyIJVUYEFVNSCNHY-UHFFFAOYSA-N
XLogP2.06
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122293510
1-(2,5-difluorophenyl)-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122293495
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 121074792
1-(4-chlorophenyl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122325548
2-bromo-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122293535
1-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methylphenyl)urea
CID 121074944
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzenesulfonamide
CID 121074810
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 121074817
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122324380
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
1-(4-methylphenyl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295053

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide (CID 122293512) is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide is CCNc1cc(NCCNS(=O)(=O)Cc2ccc(C)cc2)nc(C)n1.
What is the InChIKey of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is IJVUYEFVNSCNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-4-18-16-11-17(22-14(3)21-16)19-9-10-20-25(23,24)12-15-7-5-13(2)6-8-15/h5-8,11,20H,4,9-10,12H2,1-3H3,(H2,18,19,21,22).
What are the key properties of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide?
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 363.49 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 122293512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).