2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C18H31N3O — CID 133402488

IUPAC2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCOCc1cc(N2CCC(C(C)C)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H31N3O/c1-13(2)14-7-9-21(10-8-14)16-11-15(12-22-6)19-17(20-16)18(3,4)5/h11,13-14H,7-10,12H2,1-6H3
InChIKeyDUAIPZKDJJJQJQ-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.79
Rot. Bonds4

About 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine

2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 133402488) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID133402488
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCOCc1cc(N2CCC(C(C)C)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H31N3O/c1-13(2)14-7-9-21(10-8-14)16-11-15(12-22-6)19-17(20-16)18(3,4)5/h11,13-14H,7-10,12H2,1-6H3
InChIKeyDUAIPZKDJJJQJQ-UHFFFAOYSA-N
XLogP3.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 133402488) is 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine is COCc1cc(N2CCC(C(C)C)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is DUAIPZKDJJJQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-13(2)14-7-9-21(10-8-14)16-11-15(12-22-6)19-17(20-16)18(3,4)5/h11,13-14H,7-10,12H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 305.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 133402488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).