6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine

C14H22N4O3 — CID 82457953

IUPAC6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1nc(C2CCCO2)nc(OCCOC)c1N
InChIInChI=1S/C14H22N4O3/c1-3-6-16-13-11(15)14(21-9-8-19-2)18-12(17-13)10-5-4-7-20-10/h3,10H,1,4-9,15H2,2H3,(H,16,17,18)
InChIKeyZBEPYEDTRZTGOC-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.53
Rot. Bonds8

About 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine

6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine (PubChem CID 82457953) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
PubChem CID82457953
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1nc(C2CCCO2)nc(OCCOC)c1N
InChIInChI=1S/C14H22N4O3/c1-3-6-16-13-11(15)14(21-9-8-19-2)18-12(17-13)10-5-4-7-20-10/h3,10H,1,4-9,15H2,2H3,(H,16,17,18)
InChIKeyZBEPYEDTRZTGOC-UHFFFAOYSA-N
XLogP1.53
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine (CID 82457953) is 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine is C=CCNc1nc(C2CCCO2)nc(OCCOC)c1N.
What is the InChIKey of 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine?
The InChIKey is ZBEPYEDTRZTGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-6-16-13-11(15)14(21-9-8-19-2)18-12(17-13)10-5-4-7-20-10/h3,10H,1,4-9,15H2,2H3,(H,16,17,18).
What are the key properties of 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine?
6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine has a molecular weight of 294.35 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine is sourced from PubChem (CID 82457953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).