2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine

C12H22N4O — CID 82455609

IUPAC2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
SMILESCCCCCNc1nc(CC)nc(OC)c1N
InChIInChI=1S/C12H22N4O/c1-4-6-7-8-14-11-10(13)12(17-3)16-9(5-2)15-11/h4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyFATPFFDKPRNVRJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.23
Rot. Bonds7

About 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine

2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine (PubChem CID 82455609) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
PubChem CID82455609
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
SMILESCCCCCNc1nc(CC)nc(OC)c1N
InChIInChI=1S/C12H22N4O/c1-4-6-7-8-14-11-10(13)12(17-3)16-9(5-2)15-11/h4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyFATPFFDKPRNVRJ-UHFFFAOYSA-N
XLogP2.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455832
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82455616
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
CID 82455993
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine?
The IUPAC name of 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine (CID 82455609) is 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine?
The canonical SMILES for 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine is CCCCCNc1nc(CC)nc(OC)c1N.
What is the InChIKey of 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine?
The InChIKey is FATPFFDKPRNVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-6-7-8-14-11-10(13)12(17-3)16-9(5-2)15-11/h4-8,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine?
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).