N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine

C12H22N4O — CID 63767232

IUPACN-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCCOCCN)nc(C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-9(2)12-15-10(3)8-11(16-12)14-5-7-17-6-4-13/h8-9H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyMXKGWXMTOOCGFX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine

N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 63767232) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID63767232
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCCOCCN)nc(C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-9(2)12-15-10(3)8-11(16-12)14-5-7-17-6-4-13/h8-9H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyMXKGWXMTOOCGFX-UHFFFAOYSA-N
XLogP1.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
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

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-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
N'-(2-methoxyethyl)-N'-methyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 55126677
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 64541513
6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 115637362
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 63767232) is N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCCOCCN)nc(C(C)C)n1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is MXKGWXMTOOCGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)12-15-10(3)8-11(16-12)14-5-7-17-6-4-13/h8-9H,4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63767232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).