4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine

C9H15ClN4O — CID 62859139

IUPAC4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
SMILESCCCC(C)Nc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H15ClN4O/c1-4-5-6(2)11-8-12-7(10)13-9(14-8)15-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyPJOOHSTVUCZEKV-UHFFFAOYSA-N
MW230.70 g/mol
LogP2.13
Rot. Bonds5

About 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine (PubChem CID 62859139) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
PubChem CID62859139
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
SMILESCCCC(C)Nc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H15ClN4O/c1-4-5-6(2)11-8-12-7(10)13-9(14-8)15-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyPJOOHSTVUCZEKV-UHFFFAOYSA-N
XLogP2.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine (CID 62859139) is 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine is CCCC(C)Nc1nc(Cl)nc(OC)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is PJOOHSTVUCZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-4-5-6(2)11-8-12-7(10)13-9(14-8)15-3/h6H,4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 230.70 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).