2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol

C12H21ClN4O2 — CID 62865041

IUPAC2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCCOc1nc(Cl)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C12H21ClN4O2/c1-4-7-19-11-15-9(13)14-10(16-11)17-12(5-2,6-3)8-18/h18H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyUCOFSLNXWZWPPE-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.28
Rot. Bonds8

About 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol

2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (PubChem CID 62865041) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
PubChem CID62865041
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCCOc1nc(Cl)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C12H21ClN4O2/c1-4-7-19-11-15-9(13)14-10(16-11)17-12(5-2,6-3)8-18/h18H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyUCOFSLNXWZWPPE-UHFFFAOYSA-N
XLogP2.28
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (CID 62865041) is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is CCCOc1nc(Cl)nc(NC(CC)(CC)CO)n1.
What is the InChIKey of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is UCOFSLNXWZWPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-4-7-19-11-15-9(13)14-10(16-11)17-12(5-2,6-3)8-18/h18H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 288.78 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62865041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).