N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide

C20H22N4O3S — CID 68917822

IUPACN-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCOCc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C20H22N4O3S/c1-14-8-9-16(10-18(14)24-28(3,25)26)23-20-11-19(21-13-22-20)17-7-5-4-6-15(17)12-27-2/h4-11,13,24H,12H2,1-3H3,(H,21,22,23)
InChIKeyJODHXCJBRFAMES-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.71
Rot. Bonds7

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

N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 68917822) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID68917822
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCOCc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C20H22N4O3S/c1-14-8-9-16(10-18(14)24-28(3,25)26)23-20-11-19(21-13-22-20)17-7-5-4-6-15(17)12-27-2/h4-11,13,24H,12H2,1-3H3,(H,21,22,23)
InChIKeyJODHXCJBRFAMES-UHFFFAOYSA-N
XLogP3.71
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 25138217
N-[3-[6-[3-(methanesulfonamido)-4-methylanilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 68915423
N-[5-[[6-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
CID 68915471
N-[2-methyl-5-[[6-[4-(2-methylpropyl)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 155544134
N-[3-[[6-(2-chlorophenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609124
3-N-[ethoxy(ethyl)phosphoryl]-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzene-1,3-diamine
CID 90656365
N-[2-fluoro-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 25138206
N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609910
N-(2-methoxyethyl)-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913146
N-[[3-[[6-(2-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 67259665
N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 70816762
N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67251720

Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide (CID 68917822) is N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide is COCc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1.
What is the InChIKey of N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is JODHXCJBRFAMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-8-9-16(10-18(14)24-28(3,25)26)23-20-11-19(21-13-22-20)17-7-5-4-6-15(17)12-27-2/h4-11,13,24H,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 68917822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).