2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine

C15H28N6O3S — CID 118768707

IUPAC2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)nc(N(C)C)n1
InChIInChI=1S/C15H28N6O3S/c1-6-11-9-14(17-15(16-11)19(2)3)21-8-7-12(13(22)10-21)18-25(23,24)20(4)5/h9,12-13,18,22H,6-8,10H2,1-5H3/t12-,13-/m1/s1
InChIKeyVVAKRZWTMUFXND-CHWSQXEVSA-N
MW372.50 g/mol
LogP-0.56
Rot. Bonds6

About 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine

2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine (PubChem CID 118768707) has the molecular formula C15H28N6O3S and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine.

Molecular Properties

Compound Name2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine
PubChem CID118768707
Molecular FormulaC15H28N6O3S
Molecular Weight372.50 g/mol
Exact Mass372.19
IUPAC Name2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)nc(N(C)C)n1
InChIInChI=1S/C15H28N6O3S/c1-6-11-9-14(17-15(16-11)19(2)3)21-8-7-12(13(22)10-21)18-25(23,24)20(4)5/h9,12-13,18,22H,6-8,10H2,1-5H3/t12-,13-/m1/s1
InChIKeyVVAKRZWTMUFXND-CHWSQXEVSA-N
XLogP-0.56
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine?
The IUPAC name of 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine (CID 118768707) is 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine.
What is the SMILES notation for 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine?
The canonical SMILES for 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine is CCc1cc(N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)nc(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine?
The InChIKey is VVAKRZWTMUFXND-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N6O3S/c1-6-11-9-14(17-15(16-11)19(2)3)21-8-7-12(13(22)10-21)18-25(23,24)20(4)5/h9,12-13,18,22H,6-8,10H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine?
2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine has a molecular weight of 372.50 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine is sourced from PubChem (CID 118768707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).