4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine

C13H21ClN4O — CID 114101541

IUPAC4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2CCCC(C)CC2)n1
InChIInChI=1S/C13H21ClN4O/c1-3-19-13-17-11(14)16-12(18-13)15-10-6-4-5-9(2)7-8-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeyRBQRKUSHBPGMPA-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.30
Rot. Bonds4

About 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine (PubChem CID 114101541) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
PubChem CID114101541
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2CCCC(C)CC2)n1
InChIInChI=1S/C13H21ClN4O/c1-3-19-13-17-11(14)16-12(18-13)15-10-6-4-5-9(2)7-8-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeyRBQRKUSHBPGMPA-UHFFFAOYSA-N
XLogP3.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 64732550
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
4-chloro-N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 62857056
4-chloro-6-ethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 114130959
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 64742173
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 83028910
4-chloro-6-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine
CID 62858726
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine (CID 114101541) is 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NC2CCCC(C)CC2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine?
The InChIKey is RBQRKUSHBPGMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-19-13-17-11(14)16-12(18-13)15-10-6-4-5-9(2)7-8-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 114101541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).