N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine

C21H25N5O — CID 46961968

IUPACN,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(Oc2ncccn2)c1)Cc1ccccn1
InChIInChI=1S/C21H25N5O/c1-25(2)13-14-26(17-19-8-3-4-10-22-19)16-18-7-5-9-20(15-18)27-21-23-11-6-12-24-21/h3-12,15H,13-14,16-17H2,1-2H3
InChIKeyAOWGFSYJNQBCDR-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.23
Rot. Bonds9

About N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine

N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 46961968) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine
PubChem CID46961968
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(Oc2ncccn2)c1)Cc1ccccn1
InChIInChI=1S/C21H25N5O/c1-25(2)13-14-26(17-19-8-3-4-10-22-19)16-18-7-5-9-20(15-18)27-21-23-11-6-12-24-21/h3-12,15H,13-14,16-17H2,1-2H3
InChIKeyAOWGFSYJNQBCDR-UHFFFAOYSA-N
XLogP3.23
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-N'-[(3-propan-2-yloxyphenyl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46954083
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 110245160
2-[(4-methylsulfanylphenyl)methyl-[(3-pyrimidin-2-yloxyphenyl)methyl]amino]ethanol
CID 46987556
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 16677828
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
N,N-dimethyl-N'-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961962
N,N-dimethyl-N'-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818008
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 16673175

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine (CID 46961968) is N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine is CN(C)CCN(Cc1cccc(Oc2ncccn2)c1)Cc1ccccn1.
What is the InChIKey of N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is AOWGFSYJNQBCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25(2)13-14-26(17-19-8-3-4-10-22-19)16-18-7-5-9-20(15-18)27-21-23-11-6-12-24-21/h3-12,15H,13-14,16-17H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 46961968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).