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

C13H19N7S — CID 91767496

IUPAC5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCNc2cc(C3CC(N)C3)ncn2)s1
InChIInChI=1S/C13H19N7S/c14-9-4-8(5-9)10-6-11(18-7-17-10)16-3-1-2-12-19-20-13(15)21-12/h6-9H,1-5,14H2,(H2,15,20)(H,16,17,18)
InChIKeyVEYSLEVJFNGTKV-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.16
Rot. Bonds6

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

5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine (PubChem CID 91767496) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine
PubChem CID91767496
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCNc2cc(C3CC(N)C3)ncn2)s1
InChIInChI=1S/C13H19N7S/c14-9-4-8(5-9)10-6-11(18-7-17-10)16-3-1-2-12-19-20-13(15)21-12/h6-9H,1-5,14H2,(H2,15,20)(H,16,17,18)
InChIKeyVEYSLEVJFNGTKV-UHFFFAOYSA-N
XLogP1.16
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine (CID 91767496) is 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCCNc2cc(C3CC(N)C3)ncn2)s1.
What is the InChIKey of 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VEYSLEVJFNGTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c14-9-4-8(5-9)10-6-11(18-7-17-10)16-3-1-2-12-19-20-13(15)21-12/h6-9H,1-5,14H2,(H2,15,20)(H,16,17,18).
What are the key properties of 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine?
5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 305.41 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91767496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).