5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine

C21H21N5O4S — CID 146177535

IUPAC5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(S(=O)(=O)C3COc4ccccc43)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H21N5O4S/c22-21-23-11-14(12-24-21)17-9-15(10-20(25-17)26-5-7-29-8-6-26)31(27,28)19-13-30-18-4-2-1-3-16(18)19/h1-4,9-12,19H,5-8,13H2,(H2,22,23,24)
InChIKeyDHSLXXOLRGCXSN-UHFFFAOYSA-N
MW439.50 g/mol
LogP1.86
Rot. Bonds4

About 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine

5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine (PubChem CID 146177535) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
PubChem CID146177535
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC Name5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(S(=O)(=O)C3COc4ccccc43)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H21N5O4S/c22-21-23-11-14(12-24-21)17-9-15(10-20(25-17)26-5-7-29-8-6-26)31(27,28)19-13-30-18-4-2-1-3-16(18)19/h1-4,9-12,19H,5-8,13H2,(H2,22,23,24)
InChIKeyDHSLXXOLRGCXSN-UHFFFAOYSA-N
XLogP1.86
TPSA120.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine (CID 146177535) is 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2cc(S(=O)(=O)C3COc4ccccc43)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is DHSLXXOLRGCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c22-21-23-11-14(12-24-21)17-9-15(10-20(25-17)26-5-7-29-8-6-26)31(27,28)19-13-30-18-4-2-1-3-16(18)19/h1-4,9-12,19H,5-8,13H2,(H2,22,23,24).
What are the key properties of 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 439.50 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dihydro-1-benzofuran-3-ylsulfonyl)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 146177535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).