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

C11H21N5O — CID 113401298

IUPAC4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCCN(C)C)nc(COC)n1
InChIInChI=1S/C11H21N5O/c1-12-9-7-10(13-5-6-16(2)3)15-11(14-9)8-17-4/h7H,5-6,8H2,1-4H3,(H2,12,13,14,15)
InChIKeyKTKKWCHHQVSFIY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.64
Rot. Bonds7

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

4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 113401298) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID113401298
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCCN(C)C)nc(COC)n1
InChIInChI=1S/C11H21N5O/c1-12-9-7-10(13-5-6-16(2)3)15-11(14-9)8-17-4/h7H,5-6,8H2,1-4H3,(H2,12,13,14,15)
InChIKeyKTKKWCHHQVSFIY-UHFFFAOYSA-N
XLogP0.64
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
2-(methoxymethyl)-6-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 113401488
3-[2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311799
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 106042397
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191609
N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 82456706
N-(2-ethyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453730
2-(methoxymethyl)-6-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 113401430
2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113291401
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine (CID 113401298) is 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCCN(C)C)nc(COC)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is KTKKWCHHQVSFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-12-9-7-10(13-5-6-16(2)3)15-11(14-9)8-17-4/h7H,5-6,8H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 239.32 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 113401298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).