6-butoxy-N-hexyl-2-propylpyrimidin-4-amine

C17H31N3O — CID 82454392

IUPAC6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
SMILESCCCCCCNc1cc(OCCCC)nc(CCC)n1
InChIInChI=1S/C17H31N3O/c1-4-7-9-10-12-18-16-14-17(21-13-8-5-2)20-15(19-16)11-6-3/h14H,4-13H2,1-3H3,(H,18,19,20)
InChIKeyBAYWSXJNGPXNCD-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.60
Rot. Bonds12

About 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine

6-butoxy-N-hexyl-2-propylpyrimidin-4-amine (PubChem CID 82454392) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
PubChem CID82454392
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
SMILESCCCCCCNc1cc(OCCCC)nc(CCC)n1
InChIInChI=1S/C17H31N3O/c1-4-7-9-10-12-18-16-14-17(21-13-8-5-2)20-15(19-16)11-6-3/h14H,4-13H2,1-3H3,(H,18,19,20)
InChIKeyBAYWSXJNGPXNCD-UHFFFAOYSA-N
XLogP4.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
CID 82454405
6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82458025
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine (CID 82454392) is 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine is CCCCCCNc1cc(OCCCC)nc(CCC)n1.
What is the InChIKey of 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine?
The InChIKey is BAYWSXJNGPXNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-7-9-10-12-18-16-14-17(21-13-8-5-2)20-15(19-16)11-6-3/h14H,4-13H2,1-3H3,(H,18,19,20).
What are the key properties of 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine?
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-hexyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82454392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).