1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide

C16H20N4O2S — CID 91967200

IUPAC1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C16H20N4O2S/c21-23(22,13-14-6-2-1-3-7-14)18-12-15-8-9-17-16(19-15)20-10-4-5-11-20/h1-3,6-9,18H,4-5,10-13H2
InChIKeyAMNIVKRTIDEPNF-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.70
Rot. Bonds6

About 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide

1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (PubChem CID 91967200) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
PubChem CID91967200
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C16H20N4O2S/c21-23(22,13-14-6-2-1-3-7-14)18-12-15-8-9-17-16(19-15)20-10-4-5-11-20/h1-3,6-9,18H,4-5,10-13H2
InChIKeyAMNIVKRTIDEPNF-UHFFFAOYSA-N
XLogP1.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353250
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352132
4-cyano-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353301
3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967204
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967301
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967327
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
3-chloro-4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352175
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (CID 91967200) is 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccnc(N2CCCC2)n1.
What is the InChIKey of 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The InChIKey is AMNIVKRTIDEPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-23(22,13-14-6-2-1-3-7-14)18-12-15-8-9-17-16(19-15)20-10-4-5-11-20/h1-3,6-9,18H,4-5,10-13H2.
What are the key properties of 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 91967200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).