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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Related Compounds

4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
CID 10248401
2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide
CID 24768405
1-(Morpholin-4-Yl)-2-[4-(2-{[5-(Pyridin-3-Yl)-1,3-Thiazol-2-Yl]amino}pyridin-4-Yl)piperazin-1-Yl]ethanone
CID 56932125
(S)-2-(2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-morpholinopyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 25102936
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020
(S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N4-(5-methylthiazol-2-yl)-6-morpholinopyrimidine-2,4-diamine
CID 25102935
5-[5-[(E)-3-aminoprop-1-enyl]-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57867523
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]urea
CID 58938081
4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 126534280
N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535109
N-cyclopentyl-5-[2-[(5-morpholin-4-ylpyridin-2-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 126535118

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).