N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine

C13H21N3O — CID 65328938

IUPACN-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-3-6-10-9-12(14-4-2)16-13(15-10)11-7-5-8-17-11/h9,11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyMCNDYHDOYRFWRV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine

N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 65328938) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
PubChem CID65328938
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-3-6-10-9-12(14-4-2)16-13(15-10)11-7-5-8-17-11/h9,11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyMCNDYHDOYRFWRV-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine (CID 65328938) is N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(C2CCCO2)n1.
What is the InChIKey of N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is MCNDYHDOYRFWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-6-10-9-12(14-4-2)16-13(15-10)11-7-5-8-17-11/h9,11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine?
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 65328938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).