4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine

C9H15ClN4O — CID 62857557

IUPAC4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C)C(C)C)n1
InChIInChI=1S/C9H15ClN4O/c1-5-15-9-12-7(10)11-8(13-9)14(4)6(2)3/h6H,5H2,1-4H3
InChIKeyWWOBNFCJPQJSHJ-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.77
Rot. Bonds4

About 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 62857557) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID62857557
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C)C(C)C)n1
InChIInChI=1S/C9H15ClN4O/c1-5-15-9-12-7(10)11-8(13-9)14(4)6(2)3/h6H,5H2,1-4H3
InChIKeyWWOBNFCJPQJSHJ-UHFFFAOYSA-N
XLogP1.77
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 62857557) is 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(N(C)C(C)C)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is WWOBNFCJPQJSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-5-15-9-12-7(10)11-8(13-9)14(4)6(2)3/h6H,5H2,1-4H3.
What are the key properties of 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 230.70 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62857557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).