N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide

C20H22N4O4S — CID 3234816

IUPACN-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)c(OC)c1
InChIInChI=1S/C20H22N4O4S/c1-27-17-8-7-15(18(12-17)28-2)13-22-19-9-10-21-20(23-19)14-5-4-6-16(11-14)24-29(3,25)26/h4-12,24H,13H2,1-3H3,(H,21,22,23)
InChIKeyWFCZAWJYSJGUSN-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.14
Rot. Bonds8

About N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide

N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide (PubChem CID 3234816) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
PubChem CID3234816
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)c(OC)c1
InChIInChI=1S/C20H22N4O4S/c1-27-17-8-7-15(18(12-17)28-2)13-22-19-9-10-21-20(23-19)14-5-4-6-16(11-14)24-29(3,25)26/h4-12,24H,13H2,1-3H3,(H,21,22,23)
InChIKeyWFCZAWJYSJGUSN-UHFFFAOYSA-N
XLogP3.14
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3-{[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
CID 25104564
N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-phenyl]methanesulfonamide
CID 68915223
4-(2-Methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine
CID 86580301
N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide
CID 118716164
N6-[(2,4-dimethoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 462121
N6-[(2,4,6-trimethoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 462124
N6-[(2,4,6-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479414
N-[3-[6-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 3232634
3-[6-[(2,4-Dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzonitrile
CID 3232815
N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3232886
N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine
CID 3232982
N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine
CID 3233147

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide (CID 3234816) is N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide is COc1ccc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)c(OC)c1.
What is the InChIKey of N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is WFCZAWJYSJGUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-27-17-8-7-15(18(12-17)28-2)13-22-19-9-10-21-20(23-19)14-5-4-6-16(11-14)24-29(3,25)26/h4-12,24H,13H2,1-3H3,(H,21,22,23).
What are the key properties of N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide?
N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 414.49 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3234816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).