N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine

C14H23N5O3S — CID 110113612

IUPACN,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
SMILESCNc1cc(C2CCCN2S(=O)(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C14H23N5O3S/c1-11-16-12(10-14(15-2)17-11)13-4-3-5-19(13)23(20,21)18-6-8-22-9-7-18/h10,13H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWBHMZKMFCOCUKK-UHFFFAOYSA-N
MW341.44 g/mol
LogP0.54
Rot. Bonds4

About N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine

N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine (PubChem CID 110113612) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
PubChem CID110113612
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC NameN,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
SMILESCNc1cc(C2CCCN2S(=O)(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C14H23N5O3S/c1-11-16-12(10-14(15-2)17-11)13-4-3-5-19(13)23(20,21)18-6-8-22-9-7-18/h10,13H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWBHMZKMFCOCUKK-UHFFFAOYSA-N
XLogP0.54
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine (CID 110113612) is N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine is CNc1cc(C2CCCN2S(=O)(=O)N2CCOCC2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The InChIKey is WBHMZKMFCOCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-11-16-12(10-14(15-2)17-11)13-4-3-5-19(13)23(20,21)18-6-8-22-9-7-18/h10,13H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 110113612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).