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

C12H19ClN4O2 — CID 65118335

IUPAC1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1nc(Cl)nc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-8-4-3-5-12(18,6-8)7-14-10-15-9(13)16-11(17-10)19-2/h8,18H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyLKVQEUPLFTXHCL-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.89
Rot. Bonds4

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

1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65118335) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65118335
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1nc(Cl)nc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-8-4-3-5-12(18,6-8)7-14-10-15-9(13)16-11(17-10)19-2/h8,18H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyLKVQEUPLFTXHCL-UHFFFAOYSA-N
XLogP1.89
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.89
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-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 65118335) is 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is COc1nc(Cl)nc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is LKVQEUPLFTXHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-8-4-3-5-12(18,6-8)7-14-10-15-9(13)16-11(17-10)19-2/h8,18H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 286.76 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65118335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).