(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine

C22H27N5OS — CID 99805930

IUPAC(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
SMILESCCc1cc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H27N5OS/c1-5-16-12-19(26-20(24-16)15-6-8-23-9-7-15)27-10-11-28-17(13-27)21-25-18(14-29-21)22(2,3)4/h6-9,12,14,17H,5,10-11,13H2,1-4H3/t17-/m0/s1
InChIKeyDSWIRBFERBJUCP-KRWDZBQOSA-N
MW409.56 g/mol
LogP4.43
Rot. Bonds4

About (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine

(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine (PubChem CID 99805930) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
PubChem CID99805930
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
SMILESCCc1cc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H27N5OS/c1-5-16-12-19(26-20(24-16)15-6-8-23-9-7-15)27-10-11-28-17(13-27)21-25-18(14-29-21)22(2,3)4/h6-9,12,14,17H,5,10-11,13H2,1-4H3/t17-/m0/s1
InChIKeyDSWIRBFERBJUCP-KRWDZBQOSA-N
XLogP4.43
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine (CID 99805930) is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine is CCc1cc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The InChIKey is DSWIRBFERBJUCP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-5-16-12-19(26-20(24-16)15-6-8-23-9-7-15)27-10-11-28-17(13-27)21-25-18(14-29-21)22(2,3)4/h6-9,12,14,17H,5,10-11,13H2,1-4H3/t17-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine has a molecular weight of 409.56 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 99805930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).