4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C15H22BrN5O3S — CID 134134575

IUPAC4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESO=S(=O)(C1CC1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1
InChIInChI=1S/C15H22BrN5O3S/c16-13-11-17-15(20-7-9-24-10-8-20)18-14(13)19-3-5-21(6-4-19)25(22,23)12-1-2-12/h11-12H,1-10H2
InChIKeyMAEVHSVRMUAWLW-UHFFFAOYSA-N
MW432.34 g/mol
LogP0.69
Rot. Bonds4

About 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 134134575) has the molecular formula C15H22BrN5O3S and a molecular weight of 432.34 g/mol. Its IUPAC name is 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID134134575
Molecular FormulaC15H22BrN5O3S
Molecular Weight432.34 g/mol
Exact Mass431.06
IUPAC Name4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESO=S(=O)(C1CC1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1
InChIInChI=1S/C15H22BrN5O3S/c16-13-11-17-15(20-7-9-24-10-8-20)18-14(13)19-3-5-21(6-4-19)25(22,23)12-1-2-12/h11-12H,1-10H2
InChIKeyMAEVHSVRMUAWLW-UHFFFAOYSA-N
XLogP0.69
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 134134575) is 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is O=S(=O)(C1CC1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1.
What is the InChIKey of 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is MAEVHSVRMUAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5O3S/c16-13-11-17-15(20-7-9-24-10-8-20)18-14(13)19-3-5-21(6-4-19)25(22,23)12-1-2-12/h11-12H,1-10H2.
What are the key properties of 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 432.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 134134575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).