2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine

C20H23N5O2S — CID 25217829

IUPAC2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C20H23N5O2S/c1-24(2)28(26,27)23-18-10-12-25(14-18)20-21-11-9-19(22-20)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13,18,23H,10,12,14H2,1-2H3/t18-/m1/s1
InChIKeyHOKWMCZMNUPYRW-GOSISDBHSA-N
MW397.50 g/mol
LogP2.27
Rot. Bonds5

About 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine

2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine (PubChem CID 25217829) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
PubChem CID25217829
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C20H23N5O2S/c1-24(2)28(26,27)23-18-10-12-25(14-18)20-21-11-9-19(22-20)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13,18,23H,10,12,14H2,1-2H3/t18-/m1/s1
InChIKeyHOKWMCZMNUPYRW-GOSISDBHSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68728464
1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 68726054
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 68726476
methyl-[2-[methyl-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]amino]ethyl]carbamic acid
CID 68728830
N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine
CID 69082132
1-N,2-N-dimethyl-1-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-phenylpropane-1,2-diamine
CID 173137660
[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate
CID 87560832
[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid
CID 69082107
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68727753
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate
CID 91343706
2-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68729602
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine (CID 25217829) is 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine is CN(C)S(=O)(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The InChIKey is HOKWMCZMNUPYRW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-24(2)28(26,27)23-18-10-12-25(14-18)20-21-11-9-19(22-20)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13,18,23H,10,12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine has a molecular weight of 397.50 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 25217829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).