6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine

C10H16ClN5O — CID 114121040

IUPAC6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine
SMILESCOC1CC(Nc2nc(N)nc(Cl)n2)C1(C)C
InChIInChI=1S/C10H16ClN5O/c1-10(2)5(4-6(10)17-3)13-9-15-7(11)14-8(12)16-9/h5-6H,4H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyUOLFMHCDERHKIR-UHFFFAOYSA-N
MW257.73 g/mol
LogP1.33
Rot. Bonds3

About 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 114121040) has the molecular formula C10H16ClN5O and a molecular weight of 257.73 g/mol. Its IUPAC name is 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine
PubChem CID114121040
Molecular FormulaC10H16ClN5O
Molecular Weight257.73 g/mol
Exact Mass257.10
IUPAC Name6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine
SMILESCOC1CC(Nc2nc(N)nc(Cl)n2)C1(C)C
InChIInChI=1S/C10H16ClN5O/c1-10(2)5(4-6(10)17-3)13-9-15-7(11)14-8(12)16-9/h5-6H,4H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyUOLFMHCDERHKIR-UHFFFAOYSA-N
XLogP1.33
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.73
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine (CID 114121040) is 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine is COC1CC(Nc2nc(N)nc(Cl)n2)C1(C)C.
What is the InChIKey of 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UOLFMHCDERHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-10(2)5(4-6(10)17-3)13-9-15-7(11)14-8(12)16-9/h5-6H,4H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 257.73 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114121040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).