2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine

C15H28N4O — CID 80963364

IUPAC2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine
SMILESCCN(CC)CCOc1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-7-19(8-2)9-10-20-13-11-12(16-6)17-14(18-13)15(3,4)5/h11H,7-10H2,1-6H3,(H,16,17,18)
InChIKeyRLQVRDMRCALPJV-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.54
Rot. Bonds7

About 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine

2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine (PubChem CID 80963364) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine
PubChem CID80963364
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine
SMILESCCN(CC)CCOc1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-7-19(8-2)9-10-20-13-11-12(16-6)17-14(18-13)15(3,4)5/h11H,7-10H2,1-6H3,(H,16,17,18)
InChIKeyRLQVRDMRCALPJV-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80871216
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
CID 80966607
6-[2-(diethylamino)ethoxy]-N-ethyl-2-methylpyrimidin-4-amine
CID 80871813
N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456798
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82456857
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine (CID 80963364) is 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine is CCN(CC)CCOc1cc(NC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine?
The InChIKey is RLQVRDMRCALPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-19(8-2)9-10-20-13-11-12(16-6)17-14(18-13)15(3,4)5/h11H,7-10H2,1-6H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine?
2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80963364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).