2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine

C14H23N3O2 — CID 65351825

IUPAC2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2COCCO2)nc(C)c1CC
InChIInChI=1S/C14H23N3O2/c1-4-6-15-13-11(5-2)10(3)16-14(17-13)12-9-18-7-8-19-12/h12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyKECDEWNWDBKUDE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.26
Rot. Bonds5

About 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine

2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 65351825) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
PubChem CID65351825
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2COCCO2)nc(C)c1CC
InChIInChI=1S/C14H23N3O2/c1-4-6-15-13-11(5-2)10(3)16-14(17-13)12-9-18-7-8-19-12/h12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyKECDEWNWDBKUDE-UHFFFAOYSA-N
XLogP2.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine
CID 66305829
3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 65351698
5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306953
2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 65351632
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-ethylpyrimidin-4-amine
CID 66306424
2,5-diethyl-6-methyl-N-propylpyrimidin-4-amine
CID 62191968
5-iodo-6-methyl-2-(1,4-oxathian-2-yl)-N-propylpyrimidin-4-amine
CID 79969944
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-methylpyrimidin-4-amine
CID 66305819
2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 65351822
6-ethyl-5-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79089266
2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472619
5-ethyl-2-(2-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 79197133

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine (CID 65351825) is 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2COCCO2)nc(C)c1CC.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is KECDEWNWDBKUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-15-13-11(5-2)10(3)16-14(17-13)12-9-18-7-8-19-12/h12H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65351825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).