2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine

C14H23N3O2 — CID 80873297

IUPAC2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OCC2CCOC2)c1C
InChIInChI=1S/C14H23N3O2/c1-4-6-15-13-10(2)14(17-11(3)16-13)19-9-12-5-7-18-8-12/h12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyKIDZVABPXAMBON-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.33
Rot. Bonds6

About 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine

2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine (PubChem CID 80873297) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
PubChem CID80873297
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OCC2CCOC2)c1C
InChIInChI=1S/C14H23N3O2/c1-4-6-15-13-10(2)14(17-11(3)16-13)19-9-12-5-7-18-8-12/h12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyKIDZVABPXAMBON-UHFFFAOYSA-N
XLogP2.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine (CID 80873297) is 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(OCC2CCOC2)c1C.
What is the InChIKey of 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine?
The InChIKey is KIDZVABPXAMBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-15-13-10(2)14(17-11(3)16-13)19-9-12-5-7-18-8-12/h12H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine?
2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80873297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).