4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole

C16H22N4OS — CID 126807447

IUPAC4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole
SMILESCCc1nc(C)cc(N2CCC(OCc3csc(C)n3)C2)n1
InChIInChI=1S/C16H22N4OS/c1-4-15-17-11(2)7-16(19-15)20-6-5-14(8-20)21-9-13-10-22-12(3)18-13/h7,10,14H,4-6,8-9H2,1-3H3
InChIKeyMUZCDSOGUDDFNW-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.91
Rot. Bonds5

About 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole

4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole (PubChem CID 126807447) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole
PubChem CID126807447
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole
SMILESCCc1nc(C)cc(N2CCC(OCc3csc(C)n3)C2)n1
InChIInChI=1S/C16H22N4OS/c1-4-15-17-11(2)7-16(19-15)20-6-5-14(8-20)21-9-13-10-22-12(3)18-13/h7,10,14H,4-6,8-9H2,1-3H3
InChIKeyMUZCDSOGUDDFNW-UHFFFAOYSA-N
XLogP2.91
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

4-[[(3R)-1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 100615430
(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone
CID 102561731
2-methyl-4-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 43167825
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 100758945
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 72884221
N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539333
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
CID 39817678
(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364838
1-(2-ethyl-6-methylpyrimidin-4-yl)-3-propylazetidin-3-amine
CID 114276590

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole (CID 126807447) is 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole is CCc1nc(C)cc(N2CCC(OCc3csc(C)n3)C2)n1.
What is the InChIKey of 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is MUZCDSOGUDDFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-4-15-17-11(2)7-16(19-15)20-6-5-14(8-20)21-9-13-10-22-12(3)18-13/h7,10,14H,4-6,8-9H2,1-3H3.
What are the key properties of 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole?
4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 318.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 126807447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).