6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine

C17H29N3O2 — CID 82458423

IUPAC6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCCOC)nc(C2CCCCC2)n1
InChIInChI=1S/C17H29N3O2/c1-3-4-11-22-16-13-15(18-10-12-21-2)19-17(20-16)14-8-6-5-7-9-14/h13-14H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyYWVROIGPMOFNRK-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.76
Rot. Bonds9

About 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine

6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 82458423) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID82458423
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCCOC)nc(C2CCCCC2)n1
InChIInChI=1S/C17H29N3O2/c1-3-4-11-22-16-13-15(18-10-12-21-2)19-17(20-16)14-8-6-5-7-9-14/h13-14H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyYWVROIGPMOFNRK-UHFFFAOYSA-N
XLogP3.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458412
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
CID 82458395
2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
CID 103408531
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82458391
2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 82456540
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine (CID 82458423) is 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine is CCCCOc1cc(NCCOC)nc(C2CCCCC2)n1.
What is the InChIKey of 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is YWVROIGPMOFNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-4-11-22-16-13-15(18-10-12-21-2)19-17(20-16)14-8-6-5-7-9-14/h13-14H,3-12H2,1-2H3,(H,18,19,20).
What are the key properties of 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine?
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 82458423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).