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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Related Compounds

6-cyclopropylpyrimidin-4-amine
CID 45080491
2-(1,4-dioxan-2-yl)pyridine;hydrochloride
CID 174921928
2-(1,4-dioxan-2-yl)pyrazine
CID 67225701
5-bromo-2-(1,4-dioxan-2-yl)pyridine
CID 130138724
2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine
CID 65352118
1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65178794
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate
CID 12908749
4-[4-(1,4-dioxan-2-yl)phenyl]aniline
CID 123340045
3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine
CID 102494673
2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373476
2-(1,4-dioxan-2-yl)-1,3-benzothiazol-6-amine
CID 66201129

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).