N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine

C14H23N3O — CID 72937406

IUPACN-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCOC2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-12-8-10-16-14(17-12)15-9-5-11-18-13-6-3-2-4-7-13/h8,10,13H,2-7,9,11H2,1H3,(H,15,16,17)
InChIKeyQUWJONHZKMYOCS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.94
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine

N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine (PubChem CID 72937406) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine
PubChem CID72937406
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCOC2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-12-8-10-16-14(17-12)15-9-5-11-18-13-6-3-2-4-7-13/h8,10,13H,2-7,9,11H2,1H3,(H,15,16,17)
InChIKeyQUWJONHZKMYOCS-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine (CID 72937406) is N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine is Cc1ccnc(NCCCOC2CCCCC2)n1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine?
The InChIKey is QUWJONHZKMYOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-8-10-16-14(17-12)15-9-5-11-18-13-6-3-2-4-7-13/h8,10,13H,2-7,9,11H2,1H3,(H,15,16,17).
What are the key properties of N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine?
N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 72937406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).