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

C16H29N3O2 — CID 102929117

IUPACN-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CCOCCOC)nc1C
InChIInChI=1S/C16H29N3O2/c1-5-8-17-9-6-15-13(2)18-16(19-14(15)3)7-10-21-12-11-20-4/h17H,5-12H2,1-4H3
InChIKeyQYWSDAPMPSHTCB-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.84
Rot. Bonds11

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

N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 102929117) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID102929117
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CCOCCOC)nc1C
InChIInChI=1S/C16H29N3O2/c1-5-8-17-9-6-15-13(2)18-16(19-14(15)3)7-10-21-12-11-20-4/h17H,5-12H2,1-4H3
InChIKeyQYWSDAPMPSHTCB-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-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 102929114
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 102929118
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62745813
2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127
N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 115347172
N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 102929125
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-ethylethanamine
CID 62744926
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 103150814
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
CID 79412272
N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 116731669

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine (CID 102929117) is N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(CCOCCOC)nc1C.
What is the InChIKey of N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is QYWSDAPMPSHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-8-17-9-6-15-13(2)18-16(19-14(15)3)7-10-21-12-11-20-4/h17H,5-12H2,1-4H3.
What are the key properties of N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]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-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 102929117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).