4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine

C16H30N4O2 — CID 82456152

IUPAC4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
SMILESCCCCCCNc1nc(CCC)nc(OCCOC)c1N
InChIInChI=1S/C16H30N4O2/c1-4-6-7-8-10-18-15-14(17)16(22-12-11-21-3)20-13(19-15)9-5-2/h4-12,17H2,1-3H3,(H,18,19,20)
InChIKeyJEVFHHWMKZRJIY-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.03
Rot. Bonds12

About 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine

4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine (PubChem CID 82456152) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
PubChem CID82456152
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
SMILESCCCCCCNc1nc(CCC)nc(OCCOC)c1N
InChIInChI=1S/C16H30N4O2/c1-4-6-7-8-10-18-15-14(17)16(22-12-11-21-3)20-13(19-15)9-5-2/h4-12,17H2,1-3H3,(H,18,19,20)
InChIKeyJEVFHHWMKZRJIY-UHFFFAOYSA-N
XLogP3.03
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.03
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

6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334

Frequently Asked Questions

What is the IUPAC name of 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine (CID 82456152) is 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine is CCCCCCNc1nc(CCC)nc(OCCOC)c1N.
What is the InChIKey of 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine?
The InChIKey is JEVFHHWMKZRJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-4-6-7-8-10-18-15-14(17)16(22-12-11-21-3)20-13(19-15)9-5-2/h4-12,17H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine?
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine has a molecular weight of 310.44 g/mol, XLogP of 3.03, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).