2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C12H19N7 — CID 104830624

IUPAC2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(-n2ccnc2)n1)C(C)(C)C
InChIInChI=1S/C12H19N7/c1-8(12(2,3)4)15-10-16-9(13)17-11(18-10)19-6-5-14-7-19/h5-8H,1-4H3,(H3,13,15,16,17,18)
InChIKeyZOQZLZRFSJOMEB-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.49
Rot. Bonds3

About 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 104830624) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID104830624
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(-n2ccnc2)n1)C(C)(C)C
InChIInChI=1S/C12H19N7/c1-8(12(2,3)4)15-10-16-9(13)17-11(18-10)19-6-5-14-7-19/h5-8H,1-4H3,(H3,13,15,16,17,18)
InChIKeyZOQZLZRFSJOMEB-UHFFFAOYSA-N
XLogP1.49
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 104830624) is 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(-n2ccnc2)n1)C(C)(C)C.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZOQZLZRFSJOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-8(12(2,3)4)15-10-16-9(13)17-11(18-10)19-6-5-14-7-19/h5-8H,1-4H3,(H3,13,15,16,17,18).
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104830624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).