N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine

C13H21N3O — CID 80988663

IUPACN-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1nc(C(C)C)nc(NCC)c1C
InChIInChI=1S/C13H21N3O/c1-6-8-17-13-10(5)12(14-7-2)15-11(16-13)9(3)4/h6,9H,1,7-8H2,2-5H3,(H,14,15,16)
InChIKeyJMWYZNCUXBSWCR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds6

About N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine

N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine (PubChem CID 80988663) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
PubChem CID80988663
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1nc(C(C)C)nc(NCC)c1C
InChIInChI=1S/C13H21N3O/c1-6-8-17-13-10(5)12(14-7-2)15-11(16-13)9(3)4/h6,9H,1,7-8H2,2-5H3,(H,14,15,16)
InChIKeyJMWYZNCUXBSWCR-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.91
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-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
CID 114471199
6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106207751
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
5-methyl-6-(4-methylpentoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989042
N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989119
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984746
6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984018
N,5-dimethyl-2-propan-2-yl-6-(2-propoxyethoxy)pyrimidin-4-amine
CID 80990512
4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine (CID 80988663) is N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine is C=CCOc1nc(C(C)C)nc(NCC)c1C.
What is the InChIKey of N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine?
The InChIKey is JMWYZNCUXBSWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-6-8-17-13-10(5)12(14-7-2)15-11(16-13)9(3)4/h6,9H,1,7-8H2,2-5H3,(H,14,15,16).
What are the key properties of N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine?
N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine is sourced from PubChem (CID 80988663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).