N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C16H29N3O2 — CID 102929114

IUPACN-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCNCCCc1c(C)nc(CCOCCOC)nc1C
InChIInChI=1S/C16H29N3O2/c1-5-17-9-6-7-15-13(2)18-16(19-14(15)3)8-10-21-12-11-20-4/h17H,5-12H2,1-4H3
InChIKeyUOLQPVVAACRXPJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.84
Rot. Bonds11

About N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine

N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 102929114) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID102929114
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCNCCCc1c(C)nc(CCOCCOC)nc1C
InChIInChI=1S/C16H29N3O2/c1-5-17-9-6-7-15-13(2)18-16(19-14(15)3)8-10-21-12-11-20-4/h17H,5-12H2,1-4H3
InChIKeyUOLQPVVAACRXPJ-UHFFFAOYSA-N
XLogP1.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 102929117
2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 102929118
N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 102929125
3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 79965289
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-ethylethanamine
CID 62744926
2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
CID 79412272
N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 103413495
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
CID 62745099
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
CID 55113584

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 102929114) is N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine is CCNCCCc1c(C)nc(CCOCCOC)nc1C.
What is the InChIKey of N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is UOLQPVVAACRXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-17-9-6-7-15-13(2)18-16(19-14(15)3)8-10-21-12-11-20-4/h17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 1.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 102929114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).