2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine

C16H25N3O3 — CID 82457766

IUPAC2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2CCCO2)nc(C2CCCO2)n1
InChIInChI=1S/C16H25N3O3/c1-2-7-22-15-10-14(17-11-12-5-3-8-20-12)18-16(19-15)13-6-4-9-21-13/h10,12-13H,2-9,11H2,1H3,(H,17,18,19)
InChIKeyFEOPJNNBCNKOGE-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.71
Rot. Bonds7

About 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine (PubChem CID 82457766) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
PubChem CID82457766
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2CCCO2)nc(C2CCCO2)n1
InChIInChI=1S/C16H25N3O3/c1-2-7-22-15-10-14(17-11-12-5-3-8-20-12)18-16(19-15)13-6-4-9-21-13/h10,12-13H,2-9,11H2,1H3,(H,17,18,19)
InChIKeyFEOPJNNBCNKOGE-UHFFFAOYSA-N
XLogP2.71
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457767
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456917
2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457771
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82453883
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457723
2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456935
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457803
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456711

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine (CID 82457766) is 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NCC2CCCO2)nc(C2CCCO2)n1.
What is the InChIKey of 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The InChIKey is FEOPJNNBCNKOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-7-22-15-10-14(17-11-12-5-3-8-20-12)18-16(19-15)13-6-4-9-21-13/h10,12-13H,2-9,11H2,1H3,(H,17,18,19).
What are the key properties of 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine?
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine has a molecular weight of 307.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82457766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).