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

C12H17N7O — CID 80856191

IUPAC3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7O/c1-18(6-8-4-9(20)5-8)11-15-10(13)16-12(17-11)19-3-2-14-7-19/h2-3,7-9,20H,4-6H2,1H3,(H2,13,15,16,17)
InChIKeyRVGRUCSXXNLOBT-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.15
Rot. Bonds4

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

3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80856191) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID80856191
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7O/c1-18(6-8-4-9(20)5-8)11-15-10(13)16-12(17-11)19-3-2-14-7-19/h2-3,7-9,20H,4-6H2,1H3,(H2,13,15,16,17)
InChIKeyRVGRUCSXXNLOBT-UHFFFAOYSA-N
XLogP-0.15
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80817419
3-[[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80833137
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80779197
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80787769
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
4-hydrazinyl-6-imidazol-1-yl-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 80912687
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80796446

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol (CID 80856191) is 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is RVGRUCSXXNLOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-18(6-8-4-9(20)5-8)11-15-10(13)16-12(17-11)19-3-2-14-7-19/h2-3,7-9,20H,4-6H2,1H3,(H2,13,15,16,17).
What are the key properties of 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 275.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80856191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).