N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide

C19H20N4O2S — CID 3234829

IUPACN-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
SMILESCc1cccc(CNc2ncncc2-c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H20N4O2S/c1-14-5-3-6-15(9-14)11-21-19-18(12-20-13-22-19)16-7-4-8-17(10-16)23-26(2,24)25/h3-10,12-13,23H,11H2,1-2H3,(H,20,21,22)
InChIKeyMDQCNVBCJVMATA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.44
Rot. Bonds6

About N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide

N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide (PubChem CID 3234829) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
PubChem CID3234829
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
SMILESCc1cccc(CNc2ncncc2-c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H20N4O2S/c1-14-5-3-6-15(9-14)11-21-19-18(12-20-13-22-19)16-7-4-8-17(10-16)23-26(2,24)25/h3-10,12-13,23H,11H2,1-2H3,(H,20,21,22)
InChIKeyMDQCNVBCJVMATA-UHFFFAOYSA-N
XLogP3.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide (CID 3234829) is N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide is Cc1cccc(CNc2ncncc2-c2cccc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide?
The InChIKey is MDQCNVBCJVMATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-5-3-6-15(9-14)11-21-19-18(12-20-13-22-19)16-7-4-8-17(10-16)23-26(2,24)25/h3-10,12-13,23H,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide?
N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3234829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).