5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine

C7H6BrN5S — CID 130826184

IUPAC5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCc1cnns1
InChIInChI=1S/C7H6BrN5S/c8-6-3-9-4-11-7(6)10-1-5-2-12-13-14-5/h2-4H,1H2,(H,9,10,11)
InChIKeyPFWMZDAHJPVDRT-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.70
Rot. Bonds3

About 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine

5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 130826184) has the molecular formula C7H6BrN5S and a molecular weight of 272.13 g/mol. Its IUPAC name is 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID130826184
Molecular FormulaC7H6BrN5S
Molecular Weight272.13 g/mol
Exact Mass270.95
IUPAC Name5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCc1cnns1
InChIInChI=1S/C7H6BrN5S/c8-6-3-9-4-11-7(6)10-1-5-2-12-13-14-5/h2-4H,1H2,(H,9,10,11)
InChIKeyPFWMZDAHJPVDRT-UHFFFAOYSA-N
XLogP1.70
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine (CID 130826184) is 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine is Brc1cncnc1NCc1cnns1.
What is the InChIKey of 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is PFWMZDAHJPVDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5S/c8-6-3-9-4-11-7(6)10-1-5-2-12-13-14-5/h2-4H,1H2,(H,9,10,11).
What are the key properties of 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 272.13 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 130826184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).