2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C13H21N3O3 — CID 65351632

IUPAC2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(C2COCCO2)n1
InChIInChI=1S/C13H21N3O3/c1-3-4-14-12-7-10(8-17-2)15-13(16-12)11-9-18-5-6-19-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyZGZICAHDTRWVER-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.53
Rot. Bonds6

About 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 65351632) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID65351632
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(C2COCCO2)n1
InChIInChI=1S/C13H21N3O3/c1-3-4-14-12-7-10(8-17-2)15-13(16-12)11-9-18-5-6-19-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyZGZICAHDTRWVER-UHFFFAOYSA-N
XLogP1.53
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79662651
2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113291401
2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine
CID 65352118
2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 65351825
6-ethyl-2-(4-ethylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79669666
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79088984
2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79617577
2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62319694
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine
CID 66305829
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 65351632) is 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(C2COCCO2)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is ZGZICAHDTRWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-4-14-12-7-10(8-17-2)15-13(16-12)11-9-18-5-6-19-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65351632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).