N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C22H27N5O — CID 110245160

IUPACN'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(-c2ncc(CN(CCN(C)C)Cc3ccccn3)cn2)cc1
InChIInChI=1S/C22H27N5O/c1-26(2)12-13-27(17-20-6-4-5-11-23-20)16-18-14-24-22(25-15-18)19-7-9-21(28-3)10-8-19/h4-11,14-15H,12-13,16-17H2,1-3H3
InChIKeyRNDMBZUZSTXQER-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.11
Rot. Bonds9

About N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 110245160) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID110245160
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(-c2ncc(CN(CCN(C)C)Cc3ccccn3)cn2)cc1
InChIInChI=1S/C22H27N5O/c1-26(2)12-13-27(17-20-6-4-5-11-23-20)16-18-14-24-22(25-15-18)19-7-9-21(28-3)10-8-19/h4-11,14-15H,12-13,16-17H2,1-3H3
InChIKeyRNDMBZUZSTXQER-UHFFFAOYSA-N
XLogP3.11
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 46961968
N,N-dimethyl-N'-[(3-propan-2-yloxyphenyl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46954083
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 16677828
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 171700489
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-(quinolin-3-ylmethyl)methanamine
CID 3700701
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
N,N-dimethyl-N'-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961962
N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 52886697
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 110245160) is N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is COc1ccc(-c2ncc(CN(CCN(C)C)Cc3ccccn3)cn2)cc1.
What is the InChIKey of N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is RNDMBZUZSTXQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-26(2)12-13-27(17-20-6-4-5-11-23-20)16-18-14-24-22(25-15-18)19-7-9-21(28-3)10-8-19/h4-11,14-15H,12-13,16-17H2,1-3H3.
What are the key properties of N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 377.49 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 110245160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).