6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine

C14H26N4O2 — CID 82456045

IUPAC6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NCCCOCC)c(N)c(OCC)n1
InChIInChI=1S/C14H26N4O2/c1-4-8-11-17-13(16-9-7-10-19-5-2)12(15)14(18-11)20-6-3/h4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyHENVHHVYZVHZAL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.25
Rot. Bonds10

About 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine

6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine (PubChem CID 82456045) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
PubChem CID82456045
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NCCCOCC)c(N)c(OCC)n1
InChIInChI=1S/C14H26N4O2/c1-4-8-11-17-13(16-9-7-10-19-5-2)12(15)14(18-11)20-6-3/h4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyHENVHHVYZVHZAL-UHFFFAOYSA-N
XLogP2.25
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.25
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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Related Compounds

4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456041
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
CID 82456062
4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456039

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine (CID 82456045) is 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine is CCCc1nc(NCCCOCC)c(N)c(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine?
The InChIKey is HENVHHVYZVHZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-8-11-17-13(16-9-7-10-19-5-2)12(15)14(18-11)20-6-3/h4-10,15H2,1-3H3,(H,16,17,18).
What are the key properties of 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine?
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).