5-tert-butylpyrimidin-1-ium-2-amine

C8H14N3+ — CID 147007065

IUPAC5-tert-butylpyrimidin-1-ium-2-amine
SMILESCC(C)(C)c1cnc(N)[nH+]c1
InChIInChI=1S/C8H13N3/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5H,1-3H3,(H2,9,10,11)/p+1
InChIKeyATDUQDKYHUGGSO-UHFFFAOYSA-O
MW152.22 g/mol
LogP0.78
Rot. Bonds

About 5-tert-butylpyrimidin-1-ium-2-amine

5-tert-butylpyrimidin-1-ium-2-amine (PubChem CID 147007065) has the molecular formula C8H14N3+ and a molecular weight of 152.22 g/mol. Its IUPAC name is 5-tert-butylpyrimidin-1-ium-2-amine.

Molecular Properties

Compound Name5-tert-butylpyrimidin-1-ium-2-amine
PubChem CID147007065
Molecular FormulaC8H14N3+
Molecular Weight152.22 g/mol
Exact Mass152.12
IUPAC Name5-tert-butylpyrimidin-1-ium-2-amine
SMILESCC(C)(C)c1cnc(N)[nH+]c1
InChIInChI=1S/C8H13N3/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5H,1-3H3,(H2,9,10,11)/p+1
InChIKeyATDUQDKYHUGGSO-UHFFFAOYSA-O
XLogP0.78
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylpyrimidin-1-ium-2-amine?
The IUPAC name of 5-tert-butylpyrimidin-1-ium-2-amine (CID 147007065) is 5-tert-butylpyrimidin-1-ium-2-amine.
What is the SMILES notation for 5-tert-butylpyrimidin-1-ium-2-amine?
The canonical SMILES for 5-tert-butylpyrimidin-1-ium-2-amine is CC(C)(C)c1cnc(N)[nH+]c1.
What is the InChIKey of 5-tert-butylpyrimidin-1-ium-2-amine?
The InChIKey is ATDUQDKYHUGGSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5H,1-3H3,(H2,9,10,11)/p+1.
What are the key properties of 5-tert-butylpyrimidin-1-ium-2-amine?
5-tert-butylpyrimidin-1-ium-2-amine has a molecular weight of 152.22 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpyrimidin-1-ium-2-amine is sourced from PubChem (CID 147007065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).