5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine

C22H23N5O4S — CID 166594437

IUPAC5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(S(=O)(=O)[C@@H]3CCOc4ccccc43)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H23N5O4S/c23-22-24-13-15(14-25-22)18-11-16(12-21(26-18)27-6-9-30-10-7-27)32(28,29)20-5-8-31-19-4-2-1-3-17(19)20/h1-4,11-14,20H,5-10H2,(H2,23,24,25)/t20-/m1/s1
InChIKeyONIJZTXFVDGPGP-HXUWFJFHSA-N
MW453.52 g/mol
LogP2.25
Rot. Bonds4

About 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine

5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine (PubChem CID 166594437) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
PubChem CID166594437
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC Name5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(S(=O)(=O)[C@@H]3CCOc4ccccc43)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H23N5O4S/c23-22-24-13-15(14-25-22)18-11-16(12-21(26-18)27-6-9-30-10-7-27)32(28,29)20-5-8-31-19-4-2-1-3-17(19)20/h1-4,11-14,20H,5-10H2,(H2,23,24,25)/t20-/m1/s1
InChIKeyONIJZTXFVDGPGP-HXUWFJFHSA-N
XLogP2.25
TPSA120.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine (CID 166594437) is 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2cc(S(=O)(=O)[C@@H]3CCOc4ccccc43)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ONIJZTXFVDGPGP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N5O4S/c23-22-24-13-15(14-25-22)18-11-16(12-21(26-18)27-6-9-30-10-7-27)32(28,29)20-5-8-31-19-4-2-1-3-17(19)20/h1-4,11-14,20H,5-10H2,(H2,23,24,25)/t20-/m1/s1.
What are the key properties of 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine?
5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 453.52 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 166594437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).