6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine

C11H21N5O — CID 80878392

IUPAC6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(OCC(C)(C)N(C)C)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-11(2,16(4)5)7-17-9-6-8(13-3)14-10(12)15-9/h6H,7H2,1-5H3,(H3,12,13,14,15)
InChIKeyVIIYYYJKOPMMQR-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.82
Rot. Bonds5

About 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine

6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80878392) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine
PubChem CID80878392
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(OCC(C)(C)N(C)C)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-11(2,16(4)5)7-17-9-6-8(13-3)14-10(12)15-9/h6H,7H2,1-5H3,(H3,12,13,14,15)
InChIKeyVIIYYYJKOPMMQR-UHFFFAOYSA-N
XLogP0.82
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
CID 80738859
6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 46705525
4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
CID 80858428
4-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidine-2,4-diamine
CID 80861815
6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80871216
6-[chloro(difluoro)methoxy]-4-N-methylpyrimidine-2,4-diamine
CID 23358647
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-[2-(dimethylamino)-2-methylpropoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80937326
6-(1,3-benzodioxol-5-ylmethoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80860215
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
4-N-[2-(dimethylamino)-2-methylpropyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80900880

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine (CID 80878392) is 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine is CNc1cc(OCC(C)(C)N(C)C)nc(N)n1.
What is the InChIKey of 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is VIIYYYJKOPMMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,16(4)5)7-17-9-6-8(13-3)14-10(12)15-9/h6H,7H2,1-5H3,(H3,12,13,14,15).
What are the key properties of 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine?
6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80878392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).