6-butoxy-N-cyclohexylpyrimidin-4-amine

C14H23N3O — CID 82453632

IUPAC6-butoxy-N-cyclohexylpyrimidin-4-amine
SMILESCCCCOc1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-3-9-18-14-10-13(15-11-16-14)17-12-7-5-4-6-8-12/h10-12H,2-9H2,1H3,(H,15,16,17)
InChIKeyLHZCAWKHMXYRAB-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.40
Rot. Bonds6

About 6-butoxy-N-cyclohexylpyrimidin-4-amine

6-butoxy-N-cyclohexylpyrimidin-4-amine (PubChem CID 82453632) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-butoxy-N-cyclohexylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-cyclohexylpyrimidin-4-amine
PubChem CID82453632
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-butoxy-N-cyclohexylpyrimidin-4-amine
SMILESCCCCOc1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-3-9-18-14-10-13(15-11-16-14)17-12-7-5-4-6-8-12/h10-12H,2-9H2,1H3,(H,15,16,17)
InChIKeyLHZCAWKHMXYRAB-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.40
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

N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine
CID 66331387
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
6-heptoxy-N-methylpyrimidin-4-amine
CID 80861487
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-cyclohexylpyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-cyclohexylpyrimidin-4-amine (CID 82453632) is 6-butoxy-N-cyclohexylpyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-cyclohexylpyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-cyclohexylpyrimidin-4-amine is CCCCOc1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 6-butoxy-N-cyclohexylpyrimidin-4-amine?
The InChIKey is LHZCAWKHMXYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-9-18-14-10-13(15-11-16-14)17-12-7-5-4-6-8-12/h10-12H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 6-butoxy-N-cyclohexylpyrimidin-4-amine?
6-butoxy-N-cyclohexylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-cyclohexylpyrimidin-4-amine is sourced from PubChem (CID 82453632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).