1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine

C14H25N3 — CID 139474972

IUPAC1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-13(2,3)11-8-10(9-15-7)16-12(17-11)14(4,5)6/h8,15H,9H2,1-7H3
InChIKeyFCGZKPXARHFFIY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds2

About 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine

1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine (PubChem CID 139474972) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine
PubChem CID139474972
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-13(2,3)11-8-10(9-15-7)16-12(17-11)14(4,5)6/h8,15H,9H2,1-7H3
InChIKeyFCGZKPXARHFFIY-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine (CID 139474972) is 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine is CNCc1cc(C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine?
The InChIKey is FCGZKPXARHFFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,3)11-8-10(9-15-7)16-12(17-11)14(4,5)6/h8,15H,9H2,1-7H3.
What are the key properties of 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine?
1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 139474972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).