N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine

C20H30N4O — CID 175884785

IUPACN',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)COc1cccc(-c2cc(C)ncn2)c1
InChIInChI=1S/C20H30N4O/c1-5-24(6-2)11-10-21-17(4)14-25-19-9-7-8-18(13-19)20-12-16(3)22-15-23-20/h7-9,12-13,15,17,21H,5-6,10-11,14H2,1-4H3
InChIKeyGFWVNGPRBYNOMS-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.15
Rot. Bonds10

About N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine

N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine (PubChem CID 175884785) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine
PubChem CID175884785
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)COc1cccc(-c2cc(C)ncn2)c1
InChIInChI=1S/C20H30N4O/c1-5-24(6-2)11-10-21-17(4)14-25-19-9-7-8-18(13-19)20-12-16(3)22-15-23-20/h7-9,12-13,15,17,21H,5-6,10-11,14H2,1-4H3
InChIKeyGFWVNGPRBYNOMS-UHFFFAOYSA-N
XLogP3.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine (CID 175884785) is N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine is CCN(CC)CCNC(C)COc1cccc(-c2cc(C)ncn2)c1.
What is the InChIKey of N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine?
The InChIKey is GFWVNGPRBYNOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-5-24(6-2)11-10-21-17(4)14-25-19-9-7-8-18(13-19)20-12-16(3)22-15-23-20/h7-9,12-13,15,17,21H,5-6,10-11,14H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine has a molecular weight of 342.49 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 175884785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).