6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine

C12H19N3O — CID 80941264

IUPAC6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
SMILESC/C=C/COc1cc(NCC)nc(CC)n1
InChIInChI=1S/C12H19N3O/c1-4-7-8-16-12-9-11(13-6-3)14-10(5-2)15-12/h4,7,9H,5-6,8H2,1-3H3,(H,13,14,15)/b7-4+
InChIKeyUYRWUXJNILVTJA-QPJJXVBHSA-N
MW221.30 g/mol
LogP2.43
Rot. Bonds6

About 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine

6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine (PubChem CID 80941264) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
PubChem CID80941264
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
SMILESC/C=C/COc1cc(NCC)nc(CC)n1
InChIInChI=1S/C12H19N3O/c1-4-7-8-16-12-9-11(13-6-3)14-10(5-2)15-12/h4,7,9H,5-6,8H2,1-3H3,(H,13,14,15)/b7-4+
InChIKeyUYRWUXJNILVTJA-QPJJXVBHSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.43
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,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
CID 103176424
N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942175
N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
CID 80942333
4-[(E)-but-2-enoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566455
N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80941165
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine (CID 80941264) is 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine is C/C=C/COc1cc(NCC)nc(CC)n1.
What is the InChIKey of 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine?
The InChIKey is UYRWUXJNILVTJA-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-7-8-16-12-9-11(13-6-3)14-10(5-2)15-12/h4,7,9H,5-6,8H2,1-3H3,(H,13,14,15)/b7-4+.
What are the key properties of 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine?
6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 80941264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).