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

C9H17N5O — CID 46705525

IUPAC6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(OCCN(C)C)nc(N)n1
InChIInChI=1S/C9H17N5O/c1-11-7-6-8(13-9(10)12-7)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyGPGIVCRARQIXIX-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.04
Rot. Bonds5

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

6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 46705525) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
PubChem CID46705525
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(OCCN(C)C)nc(N)n1
InChIInChI=1S/C9H17N5O/c1-11-7-6-8(13-9(10)12-7)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyGPGIVCRARQIXIX-UHFFFAOYSA-N
XLogP0.04
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80871216
4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
CID 80858428
6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80878392
4-[2-(dimethylamino)ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 80870972
2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine
CID 71302501
4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817210
2-(6-hydrazinyl-2-propylpyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 80947210
4-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidine-2,4-diamine
CID 80861815
6-(1,3-benzodioxol-5-ylmethoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80860215
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine (CID 46705525) is 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine is CNc1cc(OCCN(C)C)nc(N)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is GPGIVCRARQIXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-11-7-6-8(13-9(10)12-7)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine?
6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 46705525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).