2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine

C17H29N3O2 — CID 82456937

IUPAC2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
SMILESCOCCOc1cc(NC2CCCCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)16-19-14(18-13-8-6-5-7-9-13)12-15(20-16)22-11-10-21-4/h12-13H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyMPKWDQDWKMHAHG-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.54
Rot. Bonds6

About 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine

2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine (PubChem CID 82456937) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
PubChem CID82456937
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
SMILESCOCCOc1cc(NC2CCCCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)16-19-14(18-13-8-6-5-7-9-13)12-15(20-16)22-11-10-21-4/h12-13H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyMPKWDQDWKMHAHG-UHFFFAOYSA-N
XLogP3.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine (CID 82456937) is 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine is COCCOc1cc(NC2CCCCC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine?
The InChIKey is MPKWDQDWKMHAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-17(2,3)16-19-14(18-13-8-6-5-7-9-13)12-15(20-16)22-11-10-21-4/h12-13H,5-11H2,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine?
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine is sourced from PubChem (CID 82456937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).