2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine

C16H25N3O — CID 82458391

IUPAC2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CC2)nc(C2CCCCC2)n1
InChIInChI=1S/C16H25N3O/c1-2-10-20-15-11-14(17-13-8-9-13)18-16(19-15)12-6-4-3-5-7-12/h11-13H,2-10H2,1H3,(H,17,18,19)
InChIKeyXVGRJACOYIBOEE-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.89
Rot. Bonds6

About 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine

2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine (PubChem CID 82458391) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine
PubChem CID82458391
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CC2)nc(C2CCCCC2)n1
InChIInChI=1S/C16H25N3O/c1-2-10-20-15-11-14(17-13-8-9-13)18-16(19-15)12-6-4-3-5-7-12/h11-13H,2-10H2,1H3,(H,17,18,19)
InChIKeyXVGRJACOYIBOEE-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine (CID 82458391) is 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine is CCCOc1cc(NC2CC2)nc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine?
The InChIKey is XVGRJACOYIBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-10-20-15-11-14(17-13-8-9-13)18-16(19-15)12-6-4-3-5-7-12/h11-13H,2-10H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine?
2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82458391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).