N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine

C15H25N3 — CID 63541689

IUPACN-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC(CC)C2CCCCC2)ncn1
InChIInChI=1S/C15H25N3/c1-3-13-10-15(17-11-16-13)18-14(4-2)12-8-6-5-7-9-12/h10-12,14H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyNXMLXLJAUWVWFR-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.81
Rot. Bonds5

About N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine

N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine (PubChem CID 63541689) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine
PubChem CID63541689
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC(CC)C2CCCCC2)ncn1
InChIInChI=1S/C15H25N3/c1-3-13-10-15(17-11-16-13)18-14(4-2)12-8-6-5-7-9-12/h10-12,14H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyNXMLXLJAUWVWFR-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine (CID 63541689) is N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine is CCc1cc(NC(CC)C2CCCCC2)ncn1.
What is the InChIKey of N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine?
The InChIKey is NXMLXLJAUWVWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-13-10-15(17-11-16-13)18-14(4-2)12-8-6-5-7-9-12/h10-12,14H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine?
N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 63541689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).