5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine

C21H23N5O3S — CID 146177500

IUPAC5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC1CN(c2cc(S(=O)(=O)c3ccccc3)cc(-c3cnc(N)nc3)n2)CC(C)O1
InChIInChI=1S/C21H23N5O3S/c1-14-12-26(13-15(2)29-14)20-9-18(30(27,28)17-6-4-3-5-7-17)8-19(25-20)16-10-23-21(22)24-11-16/h3-11,14-15H,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyAVANBXCYTAFIST-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.57
Rot. Bonds4

About 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine

5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 146177500) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID146177500
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC1CN(c2cc(S(=O)(=O)c3ccccc3)cc(-c3cnc(N)nc3)n2)CC(C)O1
InChIInChI=1S/C21H23N5O3S/c1-14-12-26(13-15(2)29-14)20-9-18(30(27,28)17-6-4-3-5-7-17)8-19(25-20)16-10-23-21(22)24-11-16/h3-11,14-15H,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyAVANBXCYTAFIST-UHFFFAOYSA-N
XLogP2.57
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine (CID 146177500) is 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine is CC1CN(c2cc(S(=O)(=O)c3ccccc3)cc(-c3cnc(N)nc3)n2)CC(C)O1.
What is the InChIKey of 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is AVANBXCYTAFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-14-12-26(13-15(2)29-14)20-9-18(30(27,28)17-6-4-3-5-7-17)8-19(25-20)16-10-23-21(22)24-11-16/h3-11,14-15H,12-13H2,1-2H3,(H2,22,23,24).
What are the key properties of 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 425.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzenesulfonyl)-6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 146177500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).