2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine

C12H22N4O2 — CID 82455780

IUPAC2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCCc1nc(NC(C)C)c(N)c(OCCOC)n1
InChIInChI=1S/C12H22N4O2/c1-5-9-15-11(14-8(2)3)10(13)12(16-9)18-7-6-17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyWNMUGOVQHUXPAX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.47
Rot. Bonds7

About 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine

2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 82455780) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
PubChem CID82455780
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCCc1nc(NC(C)C)c(N)c(OCCOC)n1
InChIInChI=1S/C12H22N4O2/c1-5-9-15-11(14-8(2)3)10(13)12(16-9)18-7-6-17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyWNMUGOVQHUXPAX-UHFFFAOYSA-N
XLogP1.47
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.47
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-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
2-ethyl-6-(2-methoxyethoxy)-4-N-methylpyrimidine-4,5-diamine
CID 82455778
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine
CID 82455786
2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455564
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455686
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine (CID 82455780) is 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine is CCc1nc(NC(C)C)c(N)c(OCCOC)n1.
What is the InChIKey of 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is WNMUGOVQHUXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-9-15-11(14-8(2)3)10(13)12(16-9)18-7-6-17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine?
2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).