N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine

C12H22N4O — CID 114217117

IUPACN,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
SMILESCCN(CC)CCOc1ncncc1CNC
InChIInChI=1S/C12H22N4O/c1-4-16(5-2)6-7-17-12-11(8-13-3)9-14-10-15-12/h9-10,13H,4-8H2,1-3H3
InChIKeyYQYLNFHHESGFNC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.92
Rot. Bonds8

About N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine

N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine (PubChem CID 114217117) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
PubChem CID114217117
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
SMILESCCN(CC)CCOc1ncncc1CNC
InChIInChI=1S/C12H22N4O/c1-4-16(5-2)6-7-17-12-11(8-13-3)9-14-10-15-12/h9-10,13H,4-8H2,1-3H3
InChIKeyYQYLNFHHESGFNC-UHFFFAOYSA-N
XLogP0.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
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
Pyrimidine, 2-amino-4-(2-di-sec-butylaminoethoxy)-
CID 24845029
4-Methoxy-5-methylpyrimidine
CID 13861006
2-((5-Fluoropyrimidin-4-yl)oxy)-N,N-dimethylethanamine
CID 5151109
2-Chloro-4-ethoxy-5-methylpyrimidine
CID 14874945
Pyrimido[4,5-b][1,5]oxazocine
CID 87724480

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine (CID 114217117) is N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine is CCN(CC)CCOc1ncncc1CNC.
What is the InChIKey of N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine?
The InChIKey is YQYLNFHHESGFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16(5-2)6-7-17-12-11(8-13-3)9-14-10-15-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine?
N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine is sourced from PubChem (CID 114217117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).