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

C16H27N3O — CID 82458405

IUPAC2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC(C)C)nc(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-4-17-14-10-15(20-11-12(2)3)19-16(18-14)13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyDIEBRXGKHQTNTG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.99
Rot. Bonds6

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

2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82458405) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82458405
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC(C)C)nc(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-4-17-14-10-15(20-11-12(2)3)19-16(18-14)13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyDIEBRXGKHQTNTG-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458412
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456492
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456498
2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 55045869
2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 82458360
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80860112
2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80965930
N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 82454277

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82458405) is 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine is CCNc1cc(OCC(C)C)nc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is DIEBRXGKHQTNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-17-14-10-15(20-11-12(2)3)19-16(18-14)13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine?
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82458405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).