N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine

C14H26N4O2 — CID 82454422

IUPACN',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(OCCOC)nc(C)n1
InChIInChI=1S/C14H26N4O2/c1-5-18(6-2)8-7-15-13-11-14(17-12(3)16-13)20-10-9-19-4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeySVKNOFWOKJTFGC-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.56
Rot. Bonds10

About N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine

N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 82454422) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
PubChem CID82454422
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(OCCOC)nc(C)n1
InChIInChI=1S/C14H26N4O2/c1-5-18(6-2)8-7-15-13-11-14(17-12(3)16-13)20-10-9-19-4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeySVKNOFWOKJTFGC-UHFFFAOYSA-N
XLogP1.56
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(diethylamino)ethoxy]-N-ethyl-2-methylpyrimidin-4-amine
CID 80871813
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927
6-(2-aminoethoxy)-N-(3-methoxypropyl)-2-methylpyrimidin-4-amine
CID 121206105
4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 76852081
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine (CID 82454422) is N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine is CCN(CC)CCNc1cc(OCCOC)nc(C)n1.
What is the InChIKey of N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is SVKNOFWOKJTFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-18(6-2)8-7-15-13-11-14(17-12(3)16-13)20-10-9-19-4/h11H,5-10H2,1-4H3,(H,15,16,17).
What are the key properties of N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 1.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 82454422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).