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

C10H18ClN5O — CID 80871228

IUPAC4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCCCN(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-4-12-9-13-8(11)14-10(15-9)17-7-5-6-16(2)3/h4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyNRTSZTRBAWXMJB-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.29
Rot. Bonds7

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

4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80871228) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80871228
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCCCN(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-4-12-9-13-8(11)14-10(15-9)17-7-5-6-16(2)3/h4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyNRTSZTRBAWXMJB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871608
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 55124601
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine
CID 80873827
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80871890
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825
6-[2-(dimethylamino)ethoxy]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 80871971
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-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80867584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine (CID 80871228) is 4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(OCCCN(C)C)n1.
What is the InChIKey of 4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is NRTSZTRBAWXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-4-12-9-13-8(11)14-10(15-9)17-7-5-6-16(2)3/h4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of 4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-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-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).