4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine

C12H22N4O2 — CID 82455553

IUPAC4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
SMILESCCCCNc1nc(C)nc(OCCOC)c1N
InChIInChI=1S/C12H22N4O2/c1-4-5-6-14-11-10(13)12(16-9(2)15-11)18-8-7-17-3/h4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyCYPQUYXNXACTFQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.60
Rot. Bonds8

About 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine

4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine (PubChem CID 82455553) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
PubChem CID82455553
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
SMILESCCCCNc1nc(C)nc(OCCOC)c1N
InChIInChI=1S/C12H22N4O2/c1-4-5-6-14-11-10(13)12(16-9(2)15-11)18-8-7-17-3/h4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyCYPQUYXNXACTFQ-UHFFFAOYSA-N
XLogP1.60
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.60
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

6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455564
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455571
4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine (CID 82455553) is 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine is CCCCNc1nc(C)nc(OCCOC)c1N.
What is the InChIKey of 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The InChIKey is CYPQUYXNXACTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-5-6-14-11-10(13)12(16-9(2)15-11)18-8-7-17-3/h4-8,13H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).