2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine

C14H16N4O3S — CID 110115437

IUPAC2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine
SMILESCc1ccnc(C2CN(S(=O)(=O)c3cccnc3)CCO2)n1
InChIInChI=1S/C14H16N4O3S/c1-11-4-6-16-14(17-11)13-10-18(7-8-21-13)22(19,20)12-3-2-5-15-9-12/h2-6,9,13H,7-8,10H2,1H3
InChIKeyBZJQLLXWDHDRFH-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.94
Rot. Bonds3

About 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine

2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine (PubChem CID 110115437) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine
PubChem CID110115437
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine
SMILESCc1ccnc(C2CN(S(=O)(=O)c3cccnc3)CCO2)n1
InChIInChI=1S/C14H16N4O3S/c1-11-4-6-16-14(17-11)13-10-18(7-8-21-13)22(19,20)12-3-2-5-15-9-12/h2-6,9,13H,7-8,10H2,1H3
InChIKeyBZJQLLXWDHDRFH-UHFFFAOYSA-N
XLogP0.94
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine (CID 110115437) is 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine is Cc1ccnc(C2CN(S(=O)(=O)c3cccnc3)CCO2)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine?
The InChIKey is BZJQLLXWDHDRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-11-4-6-16-14(17-11)13-10-18(7-8-21-13)22(19,20)12-3-2-5-15-9-12/h2-6,9,13H,7-8,10H2,1H3.
What are the key properties of 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine?
2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine has a molecular weight of 320.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine is sourced from PubChem (CID 110115437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).