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

C16H29N3O2 — CID 102929125

IUPACN-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCc1nc(C)c(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C16H29N3O2/c1-12-14(11-17-16(3,4)5)13(2)19-15(18-12)7-8-21-10-9-20-6/h17H,7-11H2,1-6H3
InChIKeyOAVXGYDBVRMAOG-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.19
Rot. Bonds8

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

N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 102929125) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID102929125
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCc1nc(C)c(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C16H29N3O2/c1-12-14(11-17-16(3,4)5)13(2)19-15(18-12)7-8-21-10-9-20-6/h17H,7-11H2,1-6H3
InChIKeyOAVXGYDBVRMAOG-UHFFFAOYSA-N
XLogP2.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127
N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 62745492
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-1-amine
CID 102929117
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 102929118
N-[[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 79197963
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
N-[[4-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 102929001
1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 102929088
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 104567615
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103413583

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 102929125) is N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is COCCOCCc1nc(C)c(CNC(C)(C)C)c(C)n1.
What is the InChIKey of N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OAVXGYDBVRMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12-14(11-17-16(3,4)5)13(2)19-15(18-12)7-8-21-10-9-20-6/h17H,7-11H2,1-6H3.
What are the key properties of N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102929125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).