5-tert-butyl-6-methylpyrimidin-4-amine

C9H15N3 — CID 165372312

IUPAC5-tert-butyl-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1C(C)(C)C
InChIInChI=1S/C9H15N3/c1-6-7(9(2,3)4)8(10)12-5-11-6/h5H,1-4H3,(H2,10,11,12)
InChIKeyJBXUNADRGNYEFA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.66
Rot. Bonds

About 5-tert-butyl-6-methylpyrimidin-4-amine

5-tert-butyl-6-methylpyrimidin-4-amine (PubChem CID 165372312) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-tert-butyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-tert-butyl-6-methylpyrimidin-4-amine
PubChem CID165372312
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-tert-butyl-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1C(C)(C)C
InChIInChI=1S/C9H15N3/c1-6-7(9(2,3)4)8(10)12-5-11-6/h5H,1-4H3,(H2,10,11,12)
InChIKeyJBXUNADRGNYEFA-UHFFFAOYSA-N
XLogP1.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-ditert-butylpyrimidin-4-amine
CID 59120613
5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine
CID 82293098
5-bromo-6-methylpyrimidin-4-amine
CID 604534
6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine
CID 177263002
5-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 90873862
CID 163439801
CID 163439801
4-tert-butyl-5-fluoro-6-methylpyrimidine
CID 91170661
6,7-ditert-butylquinazolin-4-amine
CID 59066322
5-methanimidoyl-6-methylpyrimidin-4-amine
CID 87419378
3-tert-butyl-6-methylpyrazin-2-amine
CID 121309179
6-tert-butylquinazolin-4-amine
CID 58008725
6-fluoro-5-methylpyrimidin-4-amine
CID 44558106

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methylpyrimidin-4-amine?
The IUPAC name of 5-tert-butyl-6-methylpyrimidin-4-amine (CID 165372312) is 5-tert-butyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-tert-butyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-tert-butyl-6-methylpyrimidin-4-amine is Cc1ncnc(N)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-methylpyrimidin-4-amine?
The InChIKey is JBXUNADRGNYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-7(9(2,3)4)8(10)12-5-11-6/h5H,1-4H3,(H2,10,11,12).
What are the key properties of 5-tert-butyl-6-methylpyrimidin-4-amine?
5-tert-butyl-6-methylpyrimidin-4-amine has a molecular weight of 165.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 165372312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).