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

C10H16ClN5O — CID 66006832

IUPAC3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
SMILESCN(C)c1nc(Cl)nc(NCC2CC(O)C2)n1
InChIInChI=1S/C10H16ClN5O/c1-16(2)10-14-8(11)13-9(15-10)12-5-6-3-7(17)4-6/h6-7,17H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyVDJFBACWCDMIME-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.77
Rot. Bonds4

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

3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 66006832) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
PubChem CID66006832
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
SMILESCN(C)c1nc(Cl)nc(NCC2CC(O)C2)n1
InChIInChI=1S/C10H16ClN5O/c1-16(2)10-14-8(11)13-9(15-10)12-5-6-3-7(17)4-6/h6-7,17H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyVDJFBACWCDMIME-UHFFFAOYSA-N
XLogP0.77
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol 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 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol (CID 66006832) is 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol is CN(C)c1nc(Cl)nc(NCC2CC(O)C2)n1.
What is the InChIKey of 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is VDJFBACWCDMIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-16(2)10-14-8(11)13-9(15-10)12-5-6-3-7(17)4-6/h6-7,17H,3-5H2,1-2H3,(H,12,13,14,15).
What are the key properties of 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 257.72 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66006832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).