2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine

C14H26N4O3 — CID 44577413

IUPAC2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCCOc1cc(OCCN(C)C)nc(OCCN(C)C)n1
InChIInChI=1S/C14H26N4O3/c1-6-19-12-11-13(20-9-7-17(2)3)16-14(15-12)21-10-8-18(4)5/h11H,6-10H2,1-5H3
InChIKeyUCMSTSPKTFALPE-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.76
Rot. Bonds10

About 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine

2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine (PubChem CID 44577413) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
PubChem CID44577413
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCCOc1cc(OCCN(C)C)nc(OCCN(C)C)n1
InChIInChI=1S/C14H26N4O3/c1-6-19-12-11-13(20-9-7-17(2)3)16-14(15-12)21-10-8-18(4)5/h11H,6-10H2,1-5H3
InChIKeyUCMSTSPKTFALPE-UHFFFAOYSA-N
XLogP0.76
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Etrimfos
CID 37995
2,4,6-Trimethoxypyrimidine
CID 726938
4-(6-Methoxypyrimidin-4-yl)morpholine
CID 3242788
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine (CID 44577413) is 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine is CCOc1cc(OCCN(C)C)nc(OCCN(C)C)n1.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The InChIKey is UCMSTSPKTFALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-6-19-12-11-13(20-9-7-17(2)3)16-14(15-12)21-10-8-18(4)5/h11H,6-10H2,1-5H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine?
2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine has a molecular weight of 298.39 g/mol, XLogP of 0.76, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 44577413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).