3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol

C12H15ClN6O — CID 114630373

IUPAC3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15ClN6O/c1-12(2)7(5-8(12)20)15-10-16-9(13)17-11(18-10)19-4-3-14-6-19/h3-4,6-8,20H,5H2,1-2H3,(H,15,16,17,18)
InChIKeyCPOAYVFJKZHECR-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.28
Rot. Bonds3

About 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114630373) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114630373
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15ClN6O/c1-12(2)7(5-8(12)20)15-10-16-9(13)17-11(18-10)19-4-3-14-6-19/h3-4,6-8,20H,5H2,1-2H3,(H,15,16,17,18)
InChIKeyCPOAYVFJKZHECR-UHFFFAOYSA-N
XLogP1.28
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114630382
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
CID 62864858
4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 62870066
3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 106137217
4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62863362
3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633436
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80855550
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921
4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80735936

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114630373) is 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is CPOAYVFJKZHECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-12(2)7(5-8(12)20)15-10-16-9(13)17-11(18-10)19-4-3-14-6-19/h3-4,6-8,20H,5H2,1-2H3,(H,15,16,17,18).
What are the key properties of 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 294.75 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114630373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).