4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine

C16H24N4O3S — CID 53185885

IUPAC4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine
SMILESO=S(=O)(C1CC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C16H24N4O3S/c21-24(22,14-4-5-14)20-9-6-13(11-20)23-16-10-15(17-12-18-16)19-7-2-1-3-8-19/h10,12-14H,1-9,11H2
InChIKeyUIGKOEHBNZZYAA-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.41
Rot. Bonds5

About 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine

4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine (PubChem CID 53185885) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine
PubChem CID53185885
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine
SMILESO=S(=O)(C1CC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C16H24N4O3S/c21-24(22,14-4-5-14)20-9-6-13(11-20)23-16-10-15(17-12-18-16)19-7-2-1-3-8-19/h10,12-14H,1-9,11H2
InChIKeyUIGKOEHBNZZYAA-UHFFFAOYSA-N
XLogP1.41
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine (CID 53185885) is 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine is O=S(=O)(C1CC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1.
What is the InChIKey of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine?
The InChIKey is UIGKOEHBNZZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c21-24(22,14-4-5-14)20-9-6-13(11-20)23-16-10-15(17-12-18-16)19-7-2-1-3-8-19/h10,12-14H,1-9,11H2.
What are the key properties of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine?
4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine has a molecular weight of 352.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 53185885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).