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

C17H29N3O2 — CID 82458412

IUPAC2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCOCCNc1cc(OCC(C)C)nc(C2CCCCC2)n1
InChIInChI=1S/C17H29N3O2/c1-13(2)12-22-16-11-15(18-9-10-21-3)19-17(20-16)14-7-5-4-6-8-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyBNSXFLDSJKQROO-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.62
Rot. Bonds8

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

2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82458412) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82458412
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCOCCNc1cc(OCC(C)C)nc(C2CCCCC2)n1
InChIInChI=1S/C17H29N3O2/c1-13(2)12-22-16-11-15(18-9-10-21-3)19-17(20-16)14-7-5-4-6-8-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyBNSXFLDSJKQROO-UHFFFAOYSA-N
XLogP3.62
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.62
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-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 82458360
2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 82456540
2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456498
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456492
2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456902
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
CID 82458395
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82458412) is 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine is COCCNc1cc(OCC(C)C)nc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is BNSXFLDSJKQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)12-22-16-11-15(18-9-10-21-3)19-17(20-16)14-7-5-4-6-8-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82458412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).