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

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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).