6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine

C9H16N4O2 — CID 82455343

IUPAC6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
SMILESCOCCNc1nc(C)nc(OC)c1N
InChIInChI=1S/C9H16N4O2/c1-6-12-8(11-4-5-14-2)7(10)9(13-6)15-3/h4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyBKYNNCCEOJLXIM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.43
Rot. Bonds5

About 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine

6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine (PubChem CID 82455343) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
PubChem CID82455343
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
SMILESCOCCNc1nc(C)nc(OC)c1N
InChIInChI=1S/C9H16N4O2/c1-6-12-8(11-4-5-14-2)7(10)9(13-6)15-3/h4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyBKYNNCCEOJLXIM-UHFFFAOYSA-N
XLogP0.43
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.43
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-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
CID 82455314
4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455350
4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 21239200
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82458783
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine (CID 82455343) is 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine is COCCNc1nc(C)nc(OC)c1N.
What is the InChIKey of 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine?
The InChIKey is BKYNNCCEOJLXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-12-8(11-4-5-14-2)7(10)9(13-6)15-3/h4-5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine?
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine has a molecular weight of 212.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).