2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C18H18N6O2S — CID 57428351

IUPAC2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H18N6O2S/c25-16(12-24-6-8-26-9-7-24)22-15-11-14(18-20-5-10-27-18)21-17(23-15)13-3-1-2-4-19-13/h1-5,10-11H,6-9,12H2,(H,21,22,23,25)
InChIKeyVTOVMQUIFABCPR-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.93
Rot. Bonds5

About 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 57428351) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID57428351
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H18N6O2S/c25-16(12-24-6-8-26-9-7-24)22-15-11-14(18-20-5-10-27-18)21-17(23-15)13-3-1-2-4-19-13/h1-5,10-11H,6-9,12H2,(H,21,22,23,25)
InChIKeyVTOVMQUIFABCPR-UHFFFAOYSA-N
XLogP1.93
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 57428351) is 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is O=C(CN1CCOCC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is VTOVMQUIFABCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c25-16(12-24-6-8-26-9-7-24)22-15-11-14(18-20-5-10-27-18)21-17(23-15)13-3-1-2-4-19-13/h1-5,10-11H,6-9,12H2,(H,21,22,23,25).
What are the key properties of 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 57428351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).