6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine

C15H25N3O2 — CID 80966071

IUPAC6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCC2CCCO2)nc(C(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-4-7-16-13-9-14(18-15(17-13)11(2)3)20-10-12-6-5-8-19-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyHYTCJIZGTYJSCS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.98
Rot. Bonds7

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

6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80966071) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80966071
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCC2CCCO2)nc(C(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-4-7-16-13-9-14(18-15(17-13)11(2)3)20-10-12-6-5-8-19-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyHYTCJIZGTYJSCS-UHFFFAOYSA-N
XLogP2.98
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965962
6-(oxan-2-ylmethoxy)-N-propylpyridin-2-amine
CID 80859693
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
4-N-(dicyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80962100
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963
N-ethyl-6-(oxolan-2-ylmethoxy)pyrazin-2-amine
CID 80860142
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82453883
6-(oxolan-2-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950568
5-(oxolan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62194442

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80966071) is 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(OCC2CCCO2)nc(C(C)C)n1.
What is the InChIKey of 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is HYTCJIZGTYJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-7-16-13-9-14(18-15(17-13)11(2)3)20-10-12-6-5-8-19-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 279.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80966071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).