6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine

C15H26N4O2 — CID 82457901

IUPAC6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
SMILESCCCCCNc1nc(C2CCCO2)nc(OCC)c1N
InChIInChI=1S/C15H26N4O2/c1-3-5-6-9-17-14-12(16)15(20-4-2)19-13(18-14)11-8-7-10-21-11/h11H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyBBCQEUMPMUUCOK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.91
Rot. Bonds8

About 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine

6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine (PubChem CID 82457901) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
PubChem CID82457901
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
SMILESCCCCCNc1nc(C2CCCO2)nc(OCC)c1N
InChIInChI=1S/C15H26N4O2/c1-3-5-6-9-17-14-12(16)15(20-4-2)19-13(18-14)11-8-7-10-21-11/h11H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyBBCQEUMPMUUCOK-UHFFFAOYSA-N
XLogP2.91
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine (CID 82457901) is 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine is CCCCCNc1nc(C2CCCO2)nc(OCC)c1N.
What is the InChIKey of 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine?
The InChIKey is BBCQEUMPMUUCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-5-6-9-17-14-12(16)15(20-4-2)19-13(18-14)11-8-7-10-21-11/h11H,3-10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine?
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine has a molecular weight of 294.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine is sourced from PubChem (CID 82457901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).