6-(1,4-dioxan-2-yl)pyrimidin-4-amine

C8H11N3O2 — CID 172993361

IUPAC6-(1,4-dioxan-2-yl)pyrimidin-4-amine
SMILESNc1cc(C2COCCO2)ncn1
InChIInChI=1S/C8H11N3O2/c9-8-3-6(10-5-11-8)7-4-12-1-2-13-7/h3,5,7H,1-2,4H2,(H2,9,10,11)
InChIKeyTZMRIWCBPAXKOU-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.15
Rot. Bonds1

About 6-(1,4-dioxan-2-yl)pyrimidin-4-amine

6-(1,4-dioxan-2-yl)pyrimidin-4-amine (PubChem CID 172993361) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-(1,4-dioxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,4-dioxan-2-yl)pyrimidin-4-amine
PubChem CID172993361
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-(1,4-dioxan-2-yl)pyrimidin-4-amine
SMILESNc1cc(C2COCCO2)ncn1
InChIInChI=1S/C8H11N3O2/c9-8-3-6(10-5-11-8)7-4-12-1-2-13-7/h3,5,7H,1-2,4H2,(H2,9,10,11)
InChIKeyTZMRIWCBPAXKOU-UHFFFAOYSA-N
XLogP0.15
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(1,4-dioxan-2-yl)pyrimidin-4-amine (CID 172993361) is 6-(1,4-dioxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,4-dioxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,4-dioxan-2-yl)pyrimidin-4-amine is Nc1cc(C2COCCO2)ncn1.
What is the InChIKey of 6-(1,4-dioxan-2-yl)pyrimidin-4-amine?
The InChIKey is TZMRIWCBPAXKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8-3-6(10-5-11-8)7-4-12-1-2-13-7/h3,5,7H,1-2,4H2,(H2,9,10,11).
What are the key properties of 6-(1,4-dioxan-2-yl)pyrimidin-4-amine?
6-(1,4-dioxan-2-yl)pyrimidin-4-amine has a molecular weight of 181.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 172993361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).