2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine

C16H27N3O — CID 114471120

IUPAC2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
SMILESC=C(C)CCOc1nc(C(C)(C)C)nc(NCC)c1C
InChIInChI=1S/C16H27N3O/c1-8-17-13-12(4)14(20-10-9-11(2)3)19-15(18-13)16(5,6)7/h2,8-10H2,1,3-7H3,(H,17,18,19)
InChIKeySSVVHNCGRABTLD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.86
Rot. Bonds6

About 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine

2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine (PubChem CID 114471120) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
PubChem CID114471120
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
SMILESC=C(C)CCOc1nc(C(C)(C)C)nc(NCC)c1C
InChIInChI=1S/C16H27N3O/c1-8-17-13-12(4)14(20-10-9-11(2)3)19-15(18-13)16(5,6)7/h2,8-10H2,1,3-7H3,(H,17,18,19)
InChIKeySSVVHNCGRABTLD-UHFFFAOYSA-N
XLogP3.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
CID 114471199
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine
CID 114471119
2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988043
2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80985152
2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
CID 80983933
[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 81001737
[5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114471275
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
CID 114471166
2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 103491535
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
5-chloro-N-ethyl-4-(3-methylbut-3-enoxy)pyrimidin-2-amine
CID 114471144

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine (CID 114471120) is 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine is C=C(C)CCOc1nc(C(C)(C)C)nc(NCC)c1C.
What is the InChIKey of 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The InChIKey is SSVVHNCGRABTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-8-17-13-12(4)14(20-10-9-11(2)3)19-15(18-13)16(5,6)7/h2,8-10H2,1,3-7H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine is sourced from PubChem (CID 114471120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).