4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H23ClN4O — CID 64731761

IUPAC4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC1CC(C)CC(Nc2nc(Cl)nc(OC(C)C)n2)C1
InChIInChI=1S/C14H23ClN4O/c1-8(2)20-14-18-12(15)17-13(19-14)16-11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3,(H,16,17,18,19)
InChIKeyGCZGDRJASQIVKQ-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.55
Rot. Bonds4

About 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 64731761) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID64731761
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC1CC(C)CC(Nc2nc(Cl)nc(OC(C)C)n2)C1
InChIInChI=1S/C14H23ClN4O/c1-8(2)20-14-18-12(15)17-13(19-14)16-11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3,(H,16,17,18,19)
InChIKeyGCZGDRJASQIVKQ-UHFFFAOYSA-N
XLogP3.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 64731761) is 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC1CC(C)CC(Nc2nc(Cl)nc(OC(C)C)n2)C1.
What is the InChIKey of 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is GCZGDRJASQIVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-8(2)20-14-18-12(15)17-13(19-14)16-11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 298.82 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 64731761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).