6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine

C14H26N4O — CID 82455756

IUPAC6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
SMILESCCCCNc1nc(CC)nc(OCCCC)c1N
InChIInChI=1S/C14H26N4O/c1-4-7-9-16-13-12(15)14(19-10-8-5-2)18-11(6-3)17-13/h4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyFGVRUEFLVOGPJX-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.01
Rot. Bonds9

About 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine

6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine (PubChem CID 82455756) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
PubChem CID82455756
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
SMILESCCCCNc1nc(CC)nc(OCCCC)c1N
InChIInChI=1S/C14H26N4O/c1-4-7-9-16-13-12(15)14(19-10-8-5-2)18-11(6-3)17-13/h4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyFGVRUEFLVOGPJX-UHFFFAOYSA-N
XLogP3.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.01
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-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
CID 82455770
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
6-butoxy-N-butyl-2-ethyl-5-nitropyrimidin-4-amine
CID 82455056
6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458298
6-butoxy-4-N,2-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458302
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine?
The IUPAC name of 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine (CID 82455756) is 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine is CCCCNc1nc(CC)nc(OCCCC)c1N.
What is the InChIKey of 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine?
The InChIKey is FGVRUEFLVOGPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-9-16-13-12(15)14(19-10-8-5-2)18-11(6-3)17-13/h4-10,15H2,1-3H3,(H,16,17,18).
What are the key properties of 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine?
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).