4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine

C11H21N5O2 — CID 118167296

IUPAC4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine
SMILESCC(C)COc1nc(N)nc(OCN(C)C)c1N
InChIInChI=1S/C11H21N5O2/c1-7(2)5-17-9-8(12)10(15-11(13)14-9)18-6-16(3)4/h7H,5-6,12H2,1-4H3,(H2,13,14,15)
InChIKeyUVHNBQZAYLWCSE-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.57
Rot. Bonds6

About 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine

4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine (PubChem CID 118167296) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine
PubChem CID118167296
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine
SMILESCC(C)COc1nc(N)nc(OCN(C)C)c1N
InChIInChI=1S/C11H21N5O2/c1-7(2)5-17-9-8(12)10(15-11(13)14-9)18-6-16(3)4/h7H,5-6,12H2,1-4H3,(H2,13,14,15)
InChIKeyUVHNBQZAYLWCSE-UHFFFAOYSA-N
XLogP0.57
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine?
The IUPAC name of 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine (CID 118167296) is 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine.
What is the SMILES notation for 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine?
The canonical SMILES for 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine is CC(C)COc1nc(N)nc(OCN(C)C)c1N.
What is the InChIKey of 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine?
The InChIKey is UVHNBQZAYLWCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-7(2)5-17-9-8(12)10(15-11(13)14-9)18-6-16(3)4/h7H,5-6,12H2,1-4H3,(H2,13,14,15).
What are the key properties of 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine?
4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine has a molecular weight of 255.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine is sourced from PubChem (CID 118167296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).