N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide

C18H19N5O2S — CID 11748985

IUPACN-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H19N5O2S/c1-12-6-7-15(9-16(12)23-26(2,24)25)22-18-10-17(20-11-21-18)13-4-3-5-14(19)8-13/h3-11,23H,19H2,1-2H3,(H,20,21,22)
InChIKeyOZMZPDYRMXRPPJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.15
Rot. Bonds5

About N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide

N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 11748985) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID11748985
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H19N5O2S/c1-12-6-7-15(9-16(12)23-26(2,24)25)22-18-10-17(20-11-21-18)13-4-3-5-14(19)8-13/h3-11,23H,19H2,1-2H3,(H,20,21,22)
InChIKeyOZMZPDYRMXRPPJ-UHFFFAOYSA-N
XLogP3.15
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide (CID 11748985) is N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide is Cc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is OZMZPDYRMXRPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-6-7-15(9-16(12)23-26(2,24)25)22-18-10-17(20-11-21-18)13-4-3-5-14(19)8-13/h3-11,23H,19H2,1-2H3,(H,20,21,22).
What are the key properties of N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 11748985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).