4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine

C9H15ClN4O — CID 20460

IUPAC4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C9H15ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h3-6H2,1-2H3,(H,11,12,13,14)
InChIKeyQXPRWHCVYRBXBW-UHFFFAOYSA-N
MW230.70 g/mol
LogP2.14
Rot. Bonds6

About 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 20460) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID20460
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C9H15ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h3-6H2,1-2H3,(H,11,12,13,14)
InChIKeyQXPRWHCVYRBXBW-UHFFFAOYSA-N
XLogP2.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine (CID 20460) is 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is QXPRWHCVYRBXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h3-6H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 230.70 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 20460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).