2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

C17H23N5O3S — CID 110253109

IUPAC2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCOc1ccc(-c2cnc(N)nc2C2CCCN2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H23N5O3S/c1-21(2)26(23,24)22-10-4-5-15(22)16-14(11-19-17(18)20-16)12-6-8-13(25-3)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H2,18,19,20)
InChIKeyZRAMSRIYLOEWOB-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.68
Rot. Bonds5

About 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 110253109) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID110253109
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCOc1ccc(-c2cnc(N)nc2C2CCCN2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H23N5O3S/c1-21(2)26(23,24)22-10-4-5-15(22)16-14(11-19-17(18)20-16)12-6-8-13(25-3)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H2,18,19,20)
InChIKeyZRAMSRIYLOEWOB-UHFFFAOYSA-N
XLogP1.68
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 110253109) is 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is COc1ccc(-c2cnc(N)nc2C2CCCN2S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is ZRAMSRIYLOEWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-21(2)26(23,24)22-10-4-5-15(22)16-14(11-19-17(18)20-16)12-6-8-13(25-3)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 110253109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).