2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine

C22H31N3O2 — CID 133405273

IUPAC2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
SMILESCOCc1cc(N2CCC(c3cccc(OC)c3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C22H31N3O2/c1-22(2,3)21-23-18(15-26-4)14-20(24-21)25-11-9-16(10-12-25)17-7-6-8-19(13-17)27-5/h6-8,13-14,16H,9-12,15H2,1-5H3
InChIKeyWAMRFFYLWOQYIX-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.31
Rot. Bonds5

About 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine

2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine (PubChem CID 133405273) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
PubChem CID133405273
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
SMILESCOCc1cc(N2CCC(c3cccc(OC)c3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C22H31N3O2/c1-22(2,3)21-23-18(15-26-4)14-20(24-21)25-11-9-16(10-12-25)17-7-6-8-19(13-17)27-5/h6-8,13-14,16H,9-12,15H2,1-5H3
InChIKeyWAMRFFYLWOQYIX-UHFFFAOYSA-N
XLogP4.31
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine
CID 133279366
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine
CID 133401370
2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine
CID 133469302
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133402092
2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
CID 133401963
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133402499
3-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133401831
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 84589613

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine (CID 133405273) is 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine is COCc1cc(N2CCC(c3cccc(OC)c3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine?
The InChIKey is WAMRFFYLWOQYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-22(2,3)21-23-18(15-26-4)14-20(24-21)25-11-9-16(10-12-25)17-7-6-8-19(13-17)27-5/h6-8,13-14,16H,9-12,15H2,1-5H3.
What are the key properties of 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine?
2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine has a molecular weight of 369.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133405273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).