N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide

C17H25N5O3S — CID 121075422

IUPACN-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCNc1nc(C)cc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H25N5O3S/c1-4-11-26(23,24)19-10-9-18-17-20-13(2)12-16(22-17)21-14-5-7-15(25-3)8-6-14/h5-8,12,19H,4,9-11H2,1-3H3,(H2,18,20,21,22)
InChIKeyUFRRRYKZCOMUFC-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.28
Rot. Bonds10

About N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide

N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide (PubChem CID 121075422) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
PubChem CID121075422
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCNc1nc(C)cc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H25N5O3S/c1-4-11-26(23,24)19-10-9-18-17-20-13(2)12-16(22-17)21-14-5-7-15(25-3)8-6-14/h5-8,12,19H,4,9-11H2,1-3H3,(H2,18,20,21,22)
InChIKeyUFRRRYKZCOMUFC-UHFFFAOYSA-N
XLogP2.28
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122294776
4-bromo-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 121075443
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propanamide
CID 121075051
5-ethyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122294759
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122294781
3-chloro-4-fluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122294762
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 122294623
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
CID 121075055
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075061
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
CID 121075570

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide (CID 121075422) is N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCNc1nc(C)cc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide?
The InChIKey is UFRRRYKZCOMUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-4-11-26(23,24)19-10-9-18-17-20-13(2)12-16(22-17)21-14-5-7-15(25-3)8-6-14/h5-8,12,19H,4,9-11H2,1-3H3,(H2,18,20,21,22).
What are the key properties of N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide?
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of 2.28, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 121075422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).