5,6-ditert-butylpyrimidin-4-amine

C12H21N3 — CID 59120613

IUPAC5,6-ditert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1ncnc(N)c1C(C)(C)C
InChIInChI=1S/C12H21N3/c1-11(2,3)8-9(12(4,5)6)14-7-15-10(8)13/h7H,1-6H3,(H2,13,14,15)
InChIKeySBGATWHPEDQEPI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.65
Rot. Bonds

About 5,6-ditert-butylpyrimidin-4-amine

5,6-ditert-butylpyrimidin-4-amine (PubChem CID 59120613) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5,6-ditert-butylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-ditert-butylpyrimidin-4-amine
PubChem CID59120613
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5,6-ditert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1ncnc(N)c1C(C)(C)C
InChIInChI=1S/C12H21N3/c1-11(2,3)8-9(12(4,5)6)14-7-15-10(8)13/h7H,1-6H3,(H2,13,14,15)
InChIKeySBGATWHPEDQEPI-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-6-methylpyrimidin-4-amine
CID 165372312
6-tert-butyl-5-methanimidoylpyrimidin-4-amine
CID 177078672
4,6-ditert-butyl-5-propan-2-ylpyrimidine
CID 59616923
7-tert-butyl-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 138624186
4-tert-butylfuro[2,3-d]pyrimidin-5-amine
CID 82375391
6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine
CID 177263002
4-tert-butyl-5-fluoro-6-methylpyrimidine
CID 91170661
6,7-ditert-butylquinazolin-4-amine
CID 59066322
3-tert-butyl-6-methylpyrazin-2-amine
CID 121309179
5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine
CID 82293098
6-tert-butylquinazolin-4-amine
CID 58008725
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 55271281

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butylpyrimidin-4-amine?
The IUPAC name of 5,6-ditert-butylpyrimidin-4-amine (CID 59120613) is 5,6-ditert-butylpyrimidin-4-amine.
What is the SMILES notation for 5,6-ditert-butylpyrimidin-4-amine?
The canonical SMILES for 5,6-ditert-butylpyrimidin-4-amine is CC(C)(C)c1ncnc(N)c1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butylpyrimidin-4-amine?
The InChIKey is SBGATWHPEDQEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2,3)8-9(12(4,5)6)14-7-15-10(8)13/h7H,1-6H3,(H2,13,14,15).
What are the key properties of 5,6-ditert-butylpyrimidin-4-amine?
5,6-ditert-butylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butylpyrimidin-4-amine is sourced from PubChem (CID 59120613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).