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

C13H21ClN4O2 — CID 65108654

IUPAC1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCOc1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C13H21ClN4O2/c1-2-8-20-12-17-10(14)16-11(18-12)15-9-13(19)6-4-3-5-7-13/h19H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyXIWZXMCTDWHAQY-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.42
Rot. Bonds6

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

1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65108654) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65108654
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCOc1nc(Cl)nc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C13H21ClN4O2/c1-2-8-20-12-17-10(14)16-11(18-12)15-9-13(19)6-4-3-5-7-13/h19H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyXIWZXMCTDWHAQY-UHFFFAOYSA-N
XLogP2.42
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.42
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-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65108654) is 1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is CCCOc1nc(Cl)nc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XIWZXMCTDWHAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-2-8-20-12-17-10(14)16-11(18-12)15-9-13(19)6-4-3-5-7-13/h19H,2-9H2,1H3,(H,15,16,17,18).
What are the key properties of 1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 300.79 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65108654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).