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

C17H27N3O — CID 82456497

IUPACN-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCC(C)COc1cc(NC2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C17H27N3O/c1-12(2)11-21-16-10-15(18-14-6-4-3-5-7-14)19-17(20-16)13-8-9-13/h10,12-14H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyCPPLQDNYYYYABG-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.13
Rot. Bonds6

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

N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82456497) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82456497
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCC(C)COc1cc(NC2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C17H27N3O/c1-12(2)11-21-16-10-15(18-14-6-4-3-5-7-14)19-17(20-16)13-8-9-13/h10,12-14H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyCPPLQDNYYYYABG-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82456497) is N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine is CC(C)COc1cc(NC2CCCCC2)nc(C2CC2)n1.
What is the InChIKey of N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is CPPLQDNYYYYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)11-21-16-10-15(18-14-6-4-3-5-7-14)19-17(20-16)13-8-9-13/h10,12-14H,3-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine?
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82456497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).