2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine

C13H25N5O3 — CID 44577491

IUPAC2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(OCCN(C)C)nc(OCCN)n1
InChIInChI=1S/C13H25N5O3/c1-18(2)6-9-20-12-10-11(15-5-8-19-3)16-13(17-12)21-7-4-14/h10H,4-9,14H2,1-3H3,(H,15,16,17)
InChIKeyMEZMRDXFRRZJLG-UHFFFAOYSA-N
MW299.38 g/mol
LogP-0.19
Rot. Bonds11

About 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine

2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 44577491) has the molecular formula C13H25N5O3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID44577491
Molecular FormulaC13H25N5O3
Molecular Weight299.38 g/mol
Exact Mass299.20
IUPAC Name2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(OCCN(C)C)nc(OCCN)n1
InChIInChI=1S/C13H25N5O3/c1-18(2)6-9-20-12-10-11(15-5-8-19-3)16-13(17-12)21-7-4-14/h10H,4-9,14H2,1-3H3,(H,15,16,17)
InChIKeyMEZMRDXFRRZJLG-UHFFFAOYSA-N
XLogP-0.19
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-Amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493053
2-[2-Amino-6-(cyclopropylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493050
4-(6-Methoxypyrimidin-4-yl)morpholine
CID 3242788
Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
Pyrimidine, 2-amino-4-(2-dibutylaminoethoxy)-
CID 3025151
Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
CID 3025152
Pyrimidine, 2-amino-4-(2-diisobutylaminoethoxy)-
CID 3025153
Pyrimidine, 2-amino-4-(2-dimethylaminoethoxy)-
CID 3025154
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
1-(4,6-Dimethoxy-2-pyrimidinyl)-3-(2-methoxyethyl)thiourea
CID 1955478
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine (CID 44577491) is 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1cc(OCCN(C)C)nc(OCCN)n1.
What is the InChIKey of 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is MEZMRDXFRRZJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3/c1-18(2)6-9-20-12-10-11(15-5-8-19-3)16-13(17-12)21-7-4-14/h10H,4-9,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of -0.19, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 44577491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).