1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C19H20N6O2S — CID 127250538

IUPAC1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCOC(c3cccc(-c4cnc(N)nc4)n3)C2)cs1
InChIInChI=1S/C19H20N6O2S/c1-12-23-14(11-28-12)7-18(26)25-5-6-27-17(10-25)16-4-2-3-15(24-16)13-8-21-19(20)22-9-13/h2-4,8-9,11,17H,5-7,10H2,1H3,(H2,20,21,22)
InChIKeyYRSNYFILOGKFGZ-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 127250538) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID127250538
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCOC(c3cccc(-c4cnc(N)nc4)n3)C2)cs1
InChIInChI=1S/C19H20N6O2S/c1-12-23-14(11-28-12)7-18(26)25-5-6-27-17(10-25)16-4-2-3-15(24-16)13-8-21-19(20)22-9-13/h2-4,8-9,11,17H,5-7,10H2,1H3,(H2,20,21,22)
InChIKeyYRSNYFILOGKFGZ-UHFFFAOYSA-N
XLogP2.03
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 127250538) is 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCOC(c3cccc(-c4cnc(N)nc4)n3)C2)cs1.
What is the InChIKey of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is YRSNYFILOGKFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-12-23-14(11-28-12)7-18(26)25-5-6-27-17(10-25)16-4-2-3-15(24-16)13-8-21-19(20)22-9-13/h2-4,8-9,11,17H,5-7,10H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 396.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 127250538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).