6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine

C13H24N4O — CID 80963169

IUPAC6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(OCCN(C)C)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-14-11-9-12(18-8-7-17(4)5)16-13(15-11)10(2)3/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyYFBUPLRUAHPCQX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.97
Rot. Bonds7

About 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine

6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80963169) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80963169
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(OCCN(C)C)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-14-11-9-12(18-8-7-17(4)5)16-13(15-11)10(2)3/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyYFBUPLRUAHPCQX-UHFFFAOYSA-N
XLogP1.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
N-(6-butoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454377
N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453924
N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454095
N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
CID 106669036
N-ethyl-6-pent-4-enoxy-2-propan-2-ylpyrimidin-4-amine
CID 80962371
N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80955893
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
N-[2-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506035
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
6-but-3-yn-2-yloxy-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 106795289

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine (CID 80963169) is 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(OCCN(C)C)nc(C(C)C)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YFBUPLRUAHPCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-14-11-9-12(18-8-7-17(4)5)16-13(15-11)10(2)3/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80963169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).