2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine

C12H18N4O — CID 82456230

IUPAC2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1nc(C2CC2)nc(OCC)c1N
InChIInChI=1S/C12H18N4O/c1-3-7-14-11-9(13)12(17-4-2)16-10(15-11)8-5-6-8/h3,8H,1,4-7,13H2,2H3,(H,14,15,16)
InChIKeyGCACLZMFBUYWOA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.93
Rot. Bonds6

About 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine

2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine (PubChem CID 82456230) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
PubChem CID82456230
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1nc(C2CC2)nc(OCC)c1N
InChIInChI=1S/C12H18N4O/c1-3-7-14-11-9(13)12(17-4-2)16-10(15-11)8-5-6-8/h3,8H,1,4-7,13H2,2H3,(H,14,15,16)
InChIKeyGCACLZMFBUYWOA-UHFFFAOYSA-N
XLogP1.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
CID 82456267
4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456242
4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456251
4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
CID 82458490
6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82457953
2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine
CID 82456253
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine
CID 82456191
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
CID 82456312
2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine
CID 82456275
4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
CID 82456171

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine?
The IUPAC name of 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine (CID 82456230) is 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine is C=CCNc1nc(C2CC2)nc(OCC)c1N.
What is the InChIKey of 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine?
The InChIKey is GCACLZMFBUYWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-7-14-11-9(13)12(17-4-2)16-10(15-11)8-5-6-8/h3,8H,1,4-7,13H2,2H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine?
2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine has a molecular weight of 234.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).