2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine

C15H27N3 — CID 63321483

IUPAC2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine
SMILESCC(CN)c1nc(C(C)(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-10(9-16)13-17-11(14(2,3)4)8-12(18-13)15(5,6)7/h8,10H,9,16H2,1-7H3
InChIKeyFFHCLXQNTYXDDP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.13
Rot. Bonds2

About 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine

2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine (PubChem CID 63321483) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine
PubChem CID63321483
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine
SMILESCC(CN)c1nc(C(C)(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-10(9-16)13-17-11(14(2,3)4)8-12(18-13)15(5,6)7/h8,10H,9,16H2,1-7H3
InChIKeyFFHCLXQNTYXDDP-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine?
The IUPAC name of 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine (CID 63321483) is 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine is CC(CN)c1nc(C(C)(C)C)cc(C(C)(C)C)n1.
What is the InChIKey of 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine?
The InChIKey is FFHCLXQNTYXDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10(9-16)13-17-11(14(2,3)4)8-12(18-13)15(5,6)7/h8,10H,9,16H2,1-7H3.
What are the key properties of 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine?
2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 63321483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).