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

C15H22N4O3S — CID 53185869

IUPAC4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine
SMILESO=S(=O)(C1CC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C15H22N4O3S/c20-23(21,13-3-4-13)19-8-5-12(10-19)22-15-9-14(16-11-17-15)18-6-1-2-7-18/h9,11-13H,1-8,10H2
InChIKeyJNXONASFMSRRDR-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.02
Rot. Bonds5

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

4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine (PubChem CID 53185869) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine
PubChem CID53185869
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine
SMILESO=S(=O)(C1CC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C15H22N4O3S/c20-23(21,13-3-4-13)19-8-5-12(10-19)22-15-9-14(16-11-17-15)18-6-1-2-7-18/h9,11-13H,1-8,10H2
InChIKeyJNXONASFMSRRDR-UHFFFAOYSA-N
XLogP1.02
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.02
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-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine (CID 53185869) is 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine is O=S(=O)(C1CC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is JNXONASFMSRRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c20-23(21,13-3-4-13)19-8-5-12(10-19)22-15-9-14(16-11-17-15)18-6-1-2-7-18/h9,11-13H,1-8,10H2.
What are the key properties of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine?
4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 338.43 g/mol, XLogP of 1.02, 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-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 53185869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).