N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine

C20H32N6O — CID 139307614

IUPACN,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine
SMILESCC(CCC(CCC(C)c1ncccn1)c1ncncn1)OCCN(C)C
InChIInChI=1S/C20H32N6O/c1-16(19-22-10-5-11-23-19)6-8-18(20-24-14-21-15-25-20)9-7-17(2)27-13-12-26(3)4/h5,10-11,14-18H,6-9,12-13H2,1-4H3
InChIKeyHXVZLXFLEISSNR-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.08
Rot. Bonds12

About N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine

N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine (PubChem CID 139307614) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine
PubChem CID139307614
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC NameN,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine
SMILESCC(CCC(CCC(C)c1ncccn1)c1ncncn1)OCCN(C)C
InChIInChI=1S/C20H32N6O/c1-16(19-22-10-5-11-23-19)6-8-18(20-24-14-21-15-25-20)9-7-17(2)27-13-12-26(3)4/h5,10-11,14-18H,6-9,12-13H2,1-4H3
InChIKeyHXVZLXFLEISSNR-UHFFFAOYSA-N
XLogP3.08
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine with MolForge

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Related Compounds

2-(1-methylsulfanylpropan-2-yl)pyrimidine
CID 66920835
N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
CID 123632919
N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine
CID 142517363
N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine
CID 3022193
2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine
CID 124847433
N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine
CID 62572976
N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine
CID 166870401
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(2-hydrazinyl-3-pyridinyl)oxy]-N,N-dimethylethanamine
CID 55281550
5-(ethylaminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 114216442
(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol
CID 89424025
2-(2,3-dimethyl-4-pyridin-2-ylphenoxy)-N,N-dimethylethanamine
CID 174733766

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine (CID 139307614) is N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine is CC(CCC(CCC(C)c1ncccn1)c1ncncn1)OCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine?
The InChIKey is HXVZLXFLEISSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-16(19-22-10-5-11-23-19)6-8-18(20-24-14-21-15-25-20)9-7-17(2)27-13-12-26(3)4/h5,10-11,14-18H,6-9,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine?
N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine has a molecular weight of 372.52 g/mol, XLogP of 3.08, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine is sourced from PubChem (CID 139307614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).