6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine

C13H20N4O3S — CID 53185845

IUPAC6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(OC2CCN(S(=O)(=O)C3CC3)C2)ncn1
InChIInChI=1S/C13H20N4O3S/c1-16(2)12-7-13(15-9-14-12)20-10-5-6-17(8-10)21(18,19)11-3-4-11/h7,9-11H,3-6,8H2,1-2H3
InChIKeyHIUHIBGXBPBBQU-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.49
Rot. Bonds5

About 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine

6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine (PubChem CID 53185845) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine
PubChem CID53185845
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(OC2CCN(S(=O)(=O)C3CC3)C2)ncn1
InChIInChI=1S/C13H20N4O3S/c1-16(2)12-7-13(15-9-14-12)20-10-5-6-17(8-10)21(18,19)11-3-4-11/h7,9-11H,3-6,8H2,1-2H3
InChIKeyHIUHIBGXBPBBQU-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine (CID 53185845) is 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine is CN(C)c1cc(OC2CCN(S(=O)(=O)C3CC3)C2)ncn1.
What is the InChIKey of 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine?
The InChIKey is HIUHIBGXBPBBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-16(2)12-7-13(15-9-14-12)20-10-5-6-17(8-10)21(18,19)11-3-4-11/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine?
6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 53185845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).