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

C18H31N3O2 — CID 75431426

IUPAC2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCCOCC1CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C18H31N3O2/c1-6-23-12-14-8-7-9-21(11-14)16-10-15(13-22-5)19-17(20-16)18(2,3)4/h10,14H,6-9,11-13H2,1-5H3
InChIKeyJNURXHVPUFCFFJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.17
Rot. Bonds6

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

2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine (PubChem CID 75431426) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
PubChem CID75431426
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCCOCC1CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C18H31N3O2/c1-6-23-12-14-8-7-9-21(11-14)16-10-15(13-22-5)19-17(20-16)18(2,3)4/h10,14H,6-9,11-13H2,1-5H3
InChIKeyJNURXHVPUFCFFJ-UHFFFAOYSA-N
XLogP3.17
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-(oxan-4-yl)-1,4-diazepane
CID 133402150
2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 133401848
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133402499
2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
CID 133402600
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133402092
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 84589613
2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
CID 133401963
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine (CID 75431426) is 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine is CCOCC1CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The InChIKey is JNURXHVPUFCFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-6-23-12-14-8-7-9-21(11-14)16-10-15(13-22-5)19-17(20-16)18(2,3)4/h10,14H,6-9,11-13H2,1-5H3.
What are the key properties of 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine has a molecular weight of 321.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 75431426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).