3-(6-tert-butylpyrimidin-4-yl)propan-1-amine

C11H19N3 — CID 83847400

IUPAC3-(6-tert-butylpyrimidin-4-yl)propan-1-amine
SMILESCC(C)(C)c1cc(CCCN)ncn1
InChIInChI=1S/C11H19N3/c1-11(2,3)10-7-9(5-4-6-12)13-8-14-10/h7-8H,4-6,12H2,1-3H3
InChIKeyWZAIFTGYEQXDAW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.67
Rot. Bonds3

About 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine

3-(6-tert-butylpyrimidin-4-yl)propan-1-amine (PubChem CID 83847400) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-tert-butylpyrimidin-4-yl)propan-1-amine
PubChem CID83847400
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(6-tert-butylpyrimidin-4-yl)propan-1-amine
SMILESCC(C)(C)c1cc(CCCN)ncn1
InChIInChI=1S/C11H19N3/c1-11(2,3)10-7-9(5-4-6-12)13-8-14-10/h7-8H,4-6,12H2,1-3H3
InChIKeyWZAIFTGYEQXDAW-UHFFFAOYSA-N
XLogP1.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine?
The IUPAC name of 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine (CID 83847400) is 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine?
The canonical SMILES for 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine is CC(C)(C)c1cc(CCCN)ncn1.
What is the InChIKey of 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine?
The InChIKey is WZAIFTGYEQXDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)10-7-9(5-4-6-12)13-8-14-10/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine?
3-(6-tert-butylpyrimidin-4-yl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylpyrimidin-4-yl)propan-1-amine is sourced from PubChem (CID 83847400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).