N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C12H22ClN5O2 — CID 62863316

IUPACN-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCCOc1nc(Cl)nc(NCCN(C)CCOC)n1
InChIInChI=1S/C12H22ClN5O2/c1-4-8-20-12-16-10(13)15-11(17-12)14-5-6-18(2)7-9-19-3/h4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyAIGQPNUJGXNNCQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP1.30
Rot. Bonds10

About N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62863316) has the molecular formula C12H22ClN5O2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62863316
Molecular FormulaC12H22ClN5O2
Molecular Weight303.79 g/mol
Exact Mass303.15
IUPAC NameN-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCCOc1nc(Cl)nc(NCCN(C)CCOC)n1
InChIInChI=1S/C12H22ClN5O2/c1-4-8-20-12-16-10(13)15-11(17-12)14-5-6-18(2)7-9-19-3/h4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyAIGQPNUJGXNNCQ-UHFFFAOYSA-N
XLogP1.30
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

6-chloro-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80824728
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62862613
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341615
4-N-ethyl-6-methoxy-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 80825059
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 115974987
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
4-chloro-N-pent-4-ynyl-6-propoxy-1,3,5-triazin-2-amine
CID 106223061
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871608
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62863316) is N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is CCCOc1nc(Cl)nc(NCCN(C)CCOC)n1.
What is the InChIKey of N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is AIGQPNUJGXNNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5O2/c1-4-8-20-12-16-10(13)15-11(17-12)14-5-6-18(2)7-9-19-3/h4-9H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 303.79 g/mol, XLogP of 1.30, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62863316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).