6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine

C12H21N3O4 — CID 103408444

IUPAC6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCCOCCCOc1cc(N)nc(COC)n1
InChIInChI=1S/C12H21N3O4/c1-16-6-7-18-4-3-5-19-12-8-10(13)14-11(15-12)9-17-2/h8H,3-7,9H2,1-2H3,(H2,13,14,15)
InChIKeyJTMMPRJCVAQOKC-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.64
Rot. Bonds10

About 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine

6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 103408444) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID103408444
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCCOCCCOc1cc(N)nc(COC)n1
InChIInChI=1S/C12H21N3O4/c1-16-6-7-18-4-3-5-19-12-8-10(13)14-11(15-12)9-17-2/h8H,3-7,9H2,1-2H3,(H2,13,14,15)
InChIKeyJTMMPRJCVAQOKC-UHFFFAOYSA-N
XLogP0.64
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2-methoxyethoxy)propoxy]-2-propylpyrimidin-4-amine
CID 103408442
6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 113401616
2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471242
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965218
6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine
CID 106207534
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595
6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103408460
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456727
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
CID 103176424
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine (CID 103408444) is 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine is COCCOCCCOc1cc(N)nc(COC)n1.
What is the InChIKey of 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is JTMMPRJCVAQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-16-6-7-18-4-3-5-19-12-8-10(13)14-11(15-12)9-17-2/h8H,3-7,9H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine?
6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 0.64, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103408444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).