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

C14H25N3 — CID 62192687

IUPAC2,6-ditert-butyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-8-15-11-9-10(13(2,3)4)16-12(17-11)14(5,6)7/h9H,8H2,1-7H3,(H,15,16,17)
InChIKeyUTTWDVWMMVOMTE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.50
Rot. Bonds2

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

2,6-ditert-butyl-N-ethylpyrimidin-4-amine (PubChem CID 62192687) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,6-ditert-butyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-ditert-butyl-N-ethylpyrimidin-4-amine
PubChem CID62192687
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2,6-ditert-butyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-8-15-11-9-10(13(2,3)4)16-12(17-11)14(5,6)7/h9H,8H2,1-7H3,(H,15,16,17)
InChIKeyUTTWDVWMMVOMTE-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 133381809
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
2-[(2,6-ditert-butylpyrimidin-4-yl)amino]butan-1-ol
CID 133367652
6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 79197478
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
CID 133382599
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149856
6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine
CID 65399986
6-tert-butyl-2-(3,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 63486811
2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959559

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 2,6-ditert-butyl-N-ethylpyrimidin-4-amine (CID 62192687) is 2,6-ditert-butyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2,6-ditert-butyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2,6-ditert-butyl-N-ethylpyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2,6-ditert-butyl-N-ethylpyrimidin-4-amine?
The InChIKey is UTTWDVWMMVOMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-8-15-11-9-10(13(2,3)4)16-12(17-11)14(5,6)7/h9H,8H2,1-7H3,(H,15,16,17).
What are the key properties of 2,6-ditert-butyl-N-ethylpyrimidin-4-amine?
2,6-ditert-butyl-N-ethylpyrimidin-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.50, 2 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-ethylpyrimidin-4-amine is sourced from PubChem (CID 62192687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).