2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine

C14H26N4O2 — CID 82458783

IUPAC2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C(C)(C)C)nc(NCCOC)c1N
InChIInChI=1S/C14H26N4O2/c1-6-8-20-12-10(15)11(16-7-9-19-5)17-13(18-12)14(2,3)4/h6-9,15H2,1-5H3,(H,16,17,18)
InChIKeyVMWKMMGAPICCKL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.20
Rot. Bonds7

About 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine

2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 82458783) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID82458783
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C(C)(C)C)nc(NCCOC)c1N
InChIInChI=1S/C14H26N4O2/c1-6-8-20-12-10(15)11(16-7-9-19-5)17-13(18-12)14(2,3)4/h6-9,15H2,1-5H3,(H,16,17,18)
InChIKeyVMWKMMGAPICCKL-UHFFFAOYSA-N
XLogP2.20
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.20
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

2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 81001737
2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988043
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
2-tert-butyl-6-methoxy-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82456953
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine (CID 82458783) is 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(C(C)(C)C)nc(NCCOC)c1N.
What is the InChIKey of 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is VMWKMMGAPICCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-6-8-20-12-10(15)11(16-7-9-19-5)17-13(18-12)14(2,3)4/h6-9,15H2,1-5H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine?
2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82458783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).