2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine

C18H27N5O — CID 133412099

IUPAC2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(N2CCCCC2c2ncc[nH]2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H27N5O/c1-18(2,3)17-21-13(12-24-4)11-15(22-17)23-10-6-5-7-14(23)16-19-8-9-20-16/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,19,20)
InChIKeyZSPFPGGLWKDTEQ-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.38
Rot. Bonds4

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

2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine (PubChem CID 133412099) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
PubChem CID133412099
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(N2CCCCC2c2ncc[nH]2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H27N5O/c1-18(2,3)17-21-13(12-24-4)11-15(22-17)23-10-6-5-7-14(23)16-19-8-9-20-16/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,19,20)
InChIKeyZSPFPGGLWKDTEQ-UHFFFAOYSA-N
XLogP3.38
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-[2-(1H-imidazol-2-yl)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

4-ethyl-6-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyrimidine
CID 133461686
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128978251
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole
CID 133412290
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
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 133401848
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-(oxan-4-yl)-1,4-diazepane
CID 133402150
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133402499

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine (CID 133412099) is 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine is COCc1cc(N2CCCCC2c2ncc[nH]2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The InChIKey is ZSPFPGGLWKDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-18(2,3)17-21-13(12-24-4)11-15(22-17)23-10-6-5-7-14(23)16-19-8-9-20-16/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine has a molecular weight of 329.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 133412099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).