5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine

C22H24N4O4S — CID 95814992

IUPAC5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-29-16-7-5-15(6-8-16)19-14-24-22(23)25-21(19)20-4-3-13-26(20)31(27,28)18-11-9-17(30-2)10-12-18/h5-12,14,20H,3-4,13H2,1-2H3,(H2,23,24,25)/t20-/m0/s1
InChIKeyYRJSRGMCPRDLSM-FQEVSTJZSA-N
MW440.53 g/mol
LogP3.27
Rot. Bonds6

About 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine

5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine (PubChem CID 95814992) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine
PubChem CID95814992
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-29-16-7-5-15(6-8-16)19-14-24-22(23)25-21(19)20-4-3-13-26(20)31(27,28)18-11-9-17(30-2)10-12-18/h5-12,14,20H,3-4,13H2,1-2H3,(H2,23,24,25)/t20-/m0/s1
InChIKeyYRJSRGMCPRDLSM-FQEVSTJZSA-N
XLogP3.27
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110253109
5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 110218456
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
1-[(2S)-2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 95815058
5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110253191
4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 118709184
5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 95837184
1-[(2S)-2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95814968
[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 110248847
5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110253068
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806590
4-(1-benzylsulfonylpyrrolidin-2-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 110253120

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine (CID 95814992) is 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine?
The InChIKey is YRJSRGMCPRDLSM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-29-16-7-5-15(6-8-16)19-14-24-22(23)25-21(19)20-4-3-13-26(20)31(27,28)18-11-9-17(30-2)10-12-18/h5-12,14,20H,3-4,13H2,1-2H3,(H2,23,24,25)/t20-/m0/s1.
What are the key properties of 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine?
5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine has a molecular weight of 440.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95814992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).