4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine

C12H22N4O2 — CID 81058356

IUPAC4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCCOCCN(C)c1ncnc(OC(C)C)c1N
InChIInChI=1S/C12H22N4O2/c1-5-17-7-6-16(4)11-10(13)12(15-8-14-11)18-9(2)3/h8-9H,5-7,13H2,1-4H3
InChIKeyIYHJHDKFCSWPLK-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.32
Rot. Bonds7

About 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 81058356) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID81058356
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCCOCCN(C)c1ncnc(OC(C)C)c1N
InChIInChI=1S/C12H22N4O2/c1-5-17-7-6-16(4)11-10(13)12(15-8-14-11)18-9(2)3/h8-9H,5-7,13H2,1-4H3
InChIKeyIYHJHDKFCSWPLK-UHFFFAOYSA-N
XLogP1.32
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine (CID 81058356) is 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine is CCOCCN(C)c1ncnc(OC(C)C)c1N.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is IYHJHDKFCSWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-17-7-6-16(4)11-10(13)12(15-8-14-11)18-9(2)3/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 81058356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).