2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine

C14H18N4O — CID 80865296

IUPAC2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCCCc2ccncc2)n1
InChIInChI=1S/C14H18N4O/c1-10-13(15)17-11(2)18-14(10)19-9-3-4-12-5-7-16-8-6-12/h5-8H,3-4,9H2,1-2H3,(H2,15,17,18)
InChIKeyPONKJJZVGNRJOS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.08
Rot. Bonds5

About 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine

2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine (PubChem CID 80865296) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
PubChem CID80865296
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCCCc2ccncc2)n1
InChIInChI=1S/C14H18N4O/c1-10-13(15)17-11(2)18-14(10)19-9-3-4-12-5-7-16-8-6-12/h5-8H,3-4,9H2,1-2H3,(H2,15,17,18)
InChIKeyPONKJJZVGNRJOS-UHFFFAOYSA-N
XLogP2.08
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine (CID 80865296) is 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine is Cc1nc(N)c(C)c(OCCCc2ccncc2)n1.
What is the InChIKey of 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine?
The InChIKey is PONKJJZVGNRJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-13(15)17-11(2)18-14(10)19-9-3-4-12-5-7-16-8-6-12/h5-8H,3-4,9H2,1-2H3,(H2,15,17,18).
What are the key properties of 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine?
2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80865296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).