6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine

C11H20N4O2 — CID 80813222

IUPAC6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCOCCOC)ncn1
InChIInChI=1S/C11H20N4O2/c1-3-12-10-8-11(15-9-14-10)13-4-5-17-7-6-16-2/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyBAZUBQHGTIFYEZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.98
Rot. Bonds9

About 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80813222) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80813222
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCOCCOC)ncn1
InChIInChI=1S/C11H20N4O2/c1-3-12-10-8-11(15-9-14-10)13-4-5-17-7-6-16-2/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyBAZUBQHGTIFYEZ-UHFFFAOYSA-N
XLogP0.98
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856761
2-ethyl-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-amine
CID 80938072
4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80813692
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
N-(2-ethoxyethyl)-6-ethylpyrimidin-4-amine
CID 61236272
N-ethyl-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-amine
CID 104568139
4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856745
N-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475636

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine (CID 80813222) is 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine is CCNc1cc(NCCOCCOC)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is BAZUBQHGTIFYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-12-10-8-11(15-9-14-10)13-4-5-17-7-6-16-2/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 240.31 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80813222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).