4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine

C10H18ClN5O — CID 80870973

IUPAC4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OCCN(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-4-5-12-9-13-8(11)14-10(15-9)17-7-6-16(2)3/h4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyNZGVKIZOFDVIOV-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.29
Rot. Bonds7

About 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80870973) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
PubChem CID80870973
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OCCN(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-4-5-12-9-13-8(11)14-10(15-9)17-7-6-16(2)3/h4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyNZGVKIZOFDVIOV-UHFFFAOYSA-N
XLogP1.29
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871228
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62863316
4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878028
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62862613
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341615
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine (CID 80870973) is 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(OCCN(C)C)n1.
What is the InChIKey of 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is NZGVKIZOFDVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-4-5-12-9-13-8(11)14-10(15-9)17-7-6-16(2)3/h4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 259.74 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).