N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide

C19H19ClN4O3S — CID 70816762

IUPACN-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
SMILESCOc1cc(Cl)ccc1-c1cc(Nc2cccc(CNS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C19H19ClN4O3S/c1-27-18-9-14(20)6-7-16(18)17-10-19(22-12-21-17)24-15-5-3-4-13(8-15)11-23-28(2,25)26/h3-10,12,23H,11H2,1-2H3,(H,21,22,24)
InChIKeyOKRNVWUMIWVALC-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.60
Rot. Bonds7

About N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide

N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide (PubChem CID 70816762) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
PubChem CID70816762
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC NameN-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
SMILESCOc1cc(Cl)ccc1-c1cc(Nc2cccc(CNS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C19H19ClN4O3S/c1-27-18-9-14(20)6-7-16(18)17-10-19(22-12-21-17)24-15-5-3-4-13(8-15)11-23-28(2,25)26/h3-10,12,23H,11H2,1-2H3,(H,21,22,24)
InChIKeyOKRNVWUMIWVALC-UHFFFAOYSA-N
XLogP3.60
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[3-[[6-(2-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 67259665
2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide
CID 53257344
N-[[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67252155
N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609910
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533
N-[3-[[6-(2-chlorophenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609124
N-(2-methoxyethyl)-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913146
N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67251720
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
N-[3-(benzimidazol-1-ylmethyl)phenyl]-6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-amine
CID 67252538
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112864576
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859096

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide (CID 70816762) is N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide is COc1cc(Cl)ccc1-c1cc(Nc2cccc(CNS(C)(=O)=O)c2)ncn1.
What is the InChIKey of N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide?
The InChIKey is OKRNVWUMIWVALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-27-18-9-14(20)6-7-16(18)17-10-19(22-12-21-17)24-15-5-3-4-13(8-15)11-23-28(2,25)26/h3-10,12,23H,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide?
N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide has a molecular weight of 418.91 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 70816762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).