6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine

C10H18N4O2 — CID 112590841

IUPAC6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine
SMILESCC(C)(C)OCCOc1cc(N)nc(N)n1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-5-4-15-8-6-7(11)13-9(12)14-8/h6H,4-5H2,1-3H3,(H4,11,12,13,14)
InChIKeyBJZAFYDIYIXTIY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.83
Rot. Bonds4

About 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine

6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine (PubChem CID 112590841) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine
PubChem CID112590841
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine
SMILESCC(C)(C)OCCOc1cc(N)nc(N)n1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-5-4-15-8-6-7(11)13-9(12)14-8/h6H,4-5H2,1-3H3,(H4,11,12,13,14)
InChIKeyBJZAFYDIYIXTIY-UHFFFAOYSA-N
XLogP0.83
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.83
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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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine (CID 112590841) is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine is CC(C)(C)OCCOc1cc(N)nc(N)n1.
What is the InChIKey of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine?
The InChIKey is BJZAFYDIYIXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3)16-5-4-15-8-6-7(11)13-9(12)14-8/h6H,4-5H2,1-3H3,(H4,11,12,13,14).
What are the key properties of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine?
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine has a molecular weight of 226.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 112590841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).