2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C14H25N3O3 — CID 102928862

IUPAC2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(CCOCCOC)n1
InChIInChI=1S/C14H25N3O3/c1-4-6-15-14-10-12(11-19-3)16-13(17-14)5-7-20-9-8-18-2/h10H,4-9,11H2,1-3H3,(H,15,16,17)
InChIKeyJYJSVXCBBHJIBC-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.65
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 102928862) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID102928862
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(CCOCCOC)n1
InChIInChI=1S/C14H25N3O3/c1-4-6-15-14-10-12(11-19-3)16-13(17-14)5-7-20-9-8-18-2/h10H,4-9,11H2,1-3H3,(H,15,16,17)
InChIKeyJYJSVXCBBHJIBC-UHFFFAOYSA-N
XLogP1.65
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113291401
2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79088984
2-(2-methoxyethyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318766
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
6-tert-butyl-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 62192335
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
2-(2-ethoxyethyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106815334
6-(methoxymethyl)-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62552293
2-[2-(2-methoxyethoxy)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 102928942
6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 65091955
2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79617577
4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80813692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 102928862) is 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(CCOCCOC)n1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is JYJSVXCBBHJIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-6-15-14-10-12(11-19-3)16-13(17-14)5-7-20-9-8-18-2/h10H,4-9,11H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 283.37 g/mol, XLogP of 1.65, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102928862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).