4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine

C18H25N3O2S — CID 133412573

IUPAC4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine
SMILESCOCc1cc(N2CCOC(c3ccsc3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H25N3O2S/c1-18(2,3)17-19-14(11-22-4)9-16(20-17)21-6-7-23-15(10-21)13-5-8-24-12-13/h5,8-9,12,15H,6-7,10-11H2,1-4H3
InChIKeyNSVCJDKWWXIZIB-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.56
Rot. Bonds4

About 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine

4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine (PubChem CID 133412573) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine
PubChem CID133412573
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine
SMILESCOCc1cc(N2CCOC(c3ccsc3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H25N3O2S/c1-18(2,3)17-19-14(11-22-4)9-16(20-17)21-6-7-23-15(10-21)13-5-8-24-12-13/h5,8-9,12,15H,6-7,10-11H2,1-4H3
InChIKeyNSVCJDKWWXIZIB-UHFFFAOYSA-N
XLogP3.56
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine
CID 133472437
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133402499
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine
CID 133412209
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133402092
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
CID 133400871
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
CID 133405273
6-(2-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 122054334
4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine
CID 133402121

Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine?
The IUPAC name of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine (CID 133412573) is 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine.
What is the SMILES notation for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine?
The canonical SMILES for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine is COCc1cc(N2CCOC(c3ccsc3)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine?
The InChIKey is NSVCJDKWWXIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-18(2,3)17-19-14(11-22-4)9-16(20-17)21-6-7-23-15(10-21)13-5-8-24-12-13/h5,8-9,12,15H,6-7,10-11H2,1-4H3.
What are the key properties of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine?
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine has a molecular weight of 347.48 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine is sourced from PubChem (CID 133412573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).