N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

C13H24N4O — CID 82453924

IUPACN-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCOc1cc(NCCN(C)C)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-18-12-9-11(14-7-8-17(4)5)15-13(16-12)10(2)3/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyFRYVMYRLLPAPFQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.97
Rot. Bonds7

About N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 82453924) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID82453924
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCOc1cc(NCCN(C)C)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-18-12-9-11(14-7-8-17(4)5)15-13(16-12)10(2)3/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyFRYVMYRLLPAPFQ-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

N-(6-butoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454377
N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454095
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 95462594
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
N-(2-ethyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453730
N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 82453924) is N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is CCOc1cc(NCCN(C)C)nc(C(C)C)n1.
What is the InChIKey of N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FRYVMYRLLPAPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-18-12-9-11(14-7-8-17(4)5)15-13(16-12)10(2)3/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine 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 N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82453924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).