6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine

C17H27N3O — CID 82456524

IUPAC6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
SMILESCCCCOc1cc(NC2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C17H27N3O/c1-2-3-11-21-16-12-15(18-14-7-5-4-6-8-14)19-17(20-16)13-9-10-13/h12-14H,2-11H2,1H3,(H,18,19,20)
InChIKeyMOJHAQKTWTUVQT-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.28
Rot. Bonds7

About 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine

6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine (PubChem CID 82456524) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
PubChem CID82456524
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
SMILESCCCCOc1cc(NC2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C17H27N3O/c1-2-3-11-21-16-12-15(18-14-7-5-4-6-8-14)19-17(20-16)13-9-10-13/h12-14H,2-11H2,1H3,(H,18,19,20)
InChIKeyMOJHAQKTWTUVQT-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.28
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

2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
CID 82458395
2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82458391
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine (CID 82456524) is 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine is CCCCOc1cc(NC2CCCCC2)nc(C2CC2)n1.
What is the InChIKey of 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine?
The InChIKey is MOJHAQKTWTUVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-3-11-21-16-12-15(18-14-7-5-4-6-8-14)19-17(20-16)13-9-10-13/h12-14H,2-11H2,1H3,(H,18,19,20).
What are the key properties of 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine?
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 82456524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).