[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol

C13H21ClN4O2 — CID 62858736

IUPAC[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol
SMILESCCOc1nc(Cl)nc(NC2(CO)CCCC(C)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-3-20-12-16-10(14)15-11(17-12)18-13(8-19)6-4-5-9(2)7-13/h9,19H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeySPEHSBZTGYJSNE-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.28
Rot. Bonds5

About [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol

[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol (PubChem CID 62858736) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol
PubChem CID62858736
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol
SMILESCCOc1nc(Cl)nc(NC2(CO)CCCC(C)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-3-20-12-16-10(14)15-11(17-12)18-13(8-19)6-4-5-9(2)7-13/h9,19H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeySPEHSBZTGYJSNE-UHFFFAOYSA-N
XLogP2.28
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol (CID 62858736) is [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol is CCOc1nc(Cl)nc(NC2(CO)CCCC(C)C2)n1.
What is the InChIKey of [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is SPEHSBZTGYJSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-3-20-12-16-10(14)15-11(17-12)18-13(8-19)6-4-5-9(2)7-13/h9,19H,3-8H2,1-2H3,(H,15,16,17,18).
What are the key properties of [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol?
[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 300.79 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62858736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).