N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

C13H24N4O — CID 83030494

IUPACN-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCOCCNCCNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)13-16-11(3)9-12(17-13)15-6-5-14-7-8-18-4/h9-10,14H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyWIWMCSVKVVGLOJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.56
Rot. Bonds8

About N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 83030494) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID83030494
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCOCCNCCNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)13-16-11(3)9-12(17-13)15-6-5-14-7-8-18-4/h9-10,14H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyWIWMCSVKVVGLOJ-UHFFFAOYSA-N
XLogP1.56
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
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-methoxyethyl)-N'-methyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 55126677
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 95454176
6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 115637362
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
6-methyl-N-(2-piperazin-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43600421

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 83030494) is N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine is COCCNCCNc1cc(C)nc(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is WIWMCSVKVVGLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)13-16-11(3)9-12(17-13)15-6-5-14-7-8-18-4/h9-10,14H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83030494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).