2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine

C18H31N3O — CID 133402600

IUPAC2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
SMILESCCC1(C)CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C18H31N3O/c1-7-18(5)9-8-10-21(13-18)15-11-14(12-22-6)19-16(20-15)17(2,3)4/h11H,7-10,12-13H2,1-6H3
InChIKeyRCLMPTJRBPNWHE-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.94
Rot. Bonds4

About 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine

2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine (PubChem CID 133402600) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
PubChem CID133402600
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
SMILESCCC1(C)CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C18H31N3O/c1-7-18(5)9-8-10-21(13-18)15-11-14(12-22-6)19-16(20-15)17(2,3)4/h11H,7-10,12-13H2,1-6H3
InChIKeyRCLMPTJRBPNWHE-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine (CID 133402600) is 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine is CCC1(C)CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine?
The InChIKey is RCLMPTJRBPNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-7-18(5)9-8-10-21(13-18)15-11-14(12-22-6)19-16(20-15)17(2,3)4/h11H,7-10,12-13H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine?
2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine has a molecular weight of 305.47 g/mol, XLogP of 3.94, 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-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 133402600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).