N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine

C12H21ClN4O2 — CID 62862958

IUPACN-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCOCCNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C12H21ClN4O2/c1-3-5-8-18-9-6-14-11-15-10(13)16-12(17-11)19-7-4-2/h3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyZRADHBPCKQFSQA-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.54
Rot. Bonds10

About N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine

N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62862958) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62862958
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC NameN-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCOCCNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C12H21ClN4O2/c1-3-5-8-18-9-6-14-11-15-10(13)16-12(17-11)19-7-4-2/h3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyZRADHBPCKQFSQA-UHFFFAOYSA-N
XLogP2.54
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine (CID 62862958) is N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine is CCCCOCCNc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ZRADHBPCKQFSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-3-5-8-18-9-6-14-11-15-10(13)16-12(17-11)19-7-4-2/h3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 288.78 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62862958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).