4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine

C11H17ClN4O — CID 55124638

IUPAC4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCC2CCCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-17-11-15-9(12)14-10(16-11)13-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyFNYBFUVBTAKKFK-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.53
Rot. Bonds4

About 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 55124638) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID55124638
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCC2CCCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-17-11-15-9(12)14-10(16-11)13-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyFNYBFUVBTAKKFK-UHFFFAOYSA-N
XLogP2.53
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine (CID 55124638) is 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCC2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FNYBFUVBTAKKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-17-11-15-9(12)14-10(16-11)13-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).