2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine

C12H21N3O — CID 80965456

IUPAC2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(OCC)nc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-6-13-9-8-10(16-7-2)15-11(14-9)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyNKSOOSNKQQEAEK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.60
Rot. Bonds4

About 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine

2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine (PubChem CID 80965456) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
PubChem CID80965456
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(OCC)nc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-6-13-9-8-10(16-7-2)15-11(14-9)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyNKSOOSNKQQEAEK-UHFFFAOYSA-N
XLogP2.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
2-tert-butyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80956887
N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965836
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
CID 80966382
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773598
2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80967735
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine (CID 80965456) is 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine is CCNc1cc(OCC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine?
The InChIKey is NKSOOSNKQQEAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-13-9-8-10(16-7-2)15-11(14-9)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine?
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80965456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).