5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine

C11H15N7S — CID 91759714

IUPAC5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CNc2cc(C3CC(N)C3)ncn2)s1
InChIInChI=1S/C11H15N7S/c12-7-1-6(2-7)8-3-9(16-5-15-8)14-4-10-17-18-11(13)19-10/h3,5-7H,1-2,4,12H2,(H2,13,18)(H,14,15,16)
InChIKeyHHSBWRHIHTVHPC-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.73
Rot. Bonds4

About 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 91759714) has the molecular formula C11H15N7S and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID91759714
Molecular FormulaC11H15N7S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CNc2cc(C3CC(N)C3)ncn2)s1
InChIInChI=1S/C11H15N7S/c12-7-1-6(2-7)8-3-9(16-5-15-8)14-4-10-17-18-11(13)19-10/h3,5-7H,1-2,4,12H2,(H2,13,18)(H,14,15,16)
InChIKeyHHSBWRHIHTVHPC-UHFFFAOYSA-N
XLogP0.73
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine (CID 91759714) is 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CNc2cc(C3CC(N)C3)ncn2)s1.
What is the InChIKey of 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HHSBWRHIHTVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7S/c12-7-1-6(2-7)8-3-9(16-5-15-8)14-4-10-17-18-11(13)19-10/h3,5-7H,1-2,4,12H2,(H2,13,18)(H,14,15,16).
What are the key properties of 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 277.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91759714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).