N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

C13H21N3O — CID 133290907

IUPACN-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)13-14-7-6-12(16-13)15-10(3)11-5-4-8-17-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,14,15,16)
InChIKeyZJNGHEBQXOPZTA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 133290907) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID133290907
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)13-14-7-6-12(16-13)15-10(3)11-5-4-8-17-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,14,15,16)
InChIKeyZJNGHEBQXOPZTA-UHFFFAOYSA-N
XLogP2.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (CID 133290907) is N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nccc(NC(C)C2CCCO2)n1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZJNGHEBQXOPZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)13-14-7-6-12(16-13)15-10(3)11-5-4-8-17-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133290907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).