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

C13H18N6S — CID 91776401

IUPAC6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nnc(CNc2cc(C3CC(N)C3)ncn2)s1
InChIInChI=1S/C13H18N6S/c1-2-12-18-19-13(20-12)6-15-11-5-10(16-7-17-11)8-3-9(14)4-8/h5,7-9H,2-4,6,14H2,1H3,(H,15,16,17)
InChIKeyZMIMIFKHRMRLOC-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.71
Rot. Bonds5

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

6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 91776401) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID91776401
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nnc(CNc2cc(C3CC(N)C3)ncn2)s1
InChIInChI=1S/C13H18N6S/c1-2-12-18-19-13(20-12)6-15-11-5-10(16-7-17-11)8-3-9(14)4-8/h5,7-9H,2-4,6,14H2,1H3,(H,15,16,17)
InChIKeyZMIMIFKHRMRLOC-UHFFFAOYSA-N
XLogP1.71
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (CID 91776401) is 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is CCc1nnc(CNc2cc(C3CC(N)C3)ncn2)s1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZMIMIFKHRMRLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-2-12-18-19-13(20-12)6-15-11-5-10(16-7-17-11)8-3-9(14)4-8/h5,7-9H,2-4,6,14H2,1H3,(H,15,16,17).
What are the key properties of 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 290.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91776401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).