2,6-ditert-butyl-N-methylpyrimidin-4-amine

C13H23N3 — CID 62192327

IUPAC2,6-ditert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-12(2,3)9-8-10(14-7)16-11(15-9)13(4,5)6/h8H,1-7H3,(H,14,15,16)
InChIKeyBXLZCCVGIXYNPZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.11
Rot. Bonds1

About 2,6-ditert-butyl-N-methylpyrimidin-4-amine

2,6-ditert-butyl-N-methylpyrimidin-4-amine (PubChem CID 62192327) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2,6-ditert-butyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-ditert-butyl-N-methylpyrimidin-4-amine
PubChem CID62192327
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2,6-ditert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-12(2,3)9-8-10(14-7)16-11(15-9)13(4,5)6/h8H,1-7H3,(H,14,15,16)
InChIKeyBXLZCCVGIXYNPZ-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839
3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 133381809
2-tert-butyl-4-N-(3,3-dimethylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 104830549
2-tert-butyl-6-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80956274
2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
CID 62192152
2-tert-butyl-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353528
2,4-ditert-butyl-6-methylpyrimidine
CID 22950955
6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine
CID 62314163
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80967917
6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55045244
1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine
CID 139474972

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2,6-ditert-butyl-N-methylpyrimidin-4-amine (CID 62192327) is 2,6-ditert-butyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2,6-ditert-butyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2,6-ditert-butyl-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2,6-ditert-butyl-N-methylpyrimidin-4-amine?
The InChIKey is BXLZCCVGIXYNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2,3)9-8-10(14-7)16-11(15-9)13(4,5)6/h8H,1-7H3,(H,14,15,16).
What are the key properties of 2,6-ditert-butyl-N-methylpyrimidin-4-amine?
2,6-ditert-butyl-N-methylpyrimidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62192327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).