5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine

C7H5BrClN5S — CID 130857586

IUPAC5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(NCc2cnns2)n1
InChIInChI=1S/C7H5BrClN5S/c8-5-3-11-7(9)13-6(5)10-1-4-2-12-14-15-4/h2-3H,1H2,(H,10,11,13)
InChIKeyYCKLUGGOTASRMS-UHFFFAOYSA-N
MW306.58 g/mol
LogP2.36
Rot. Bonds3

About 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 130857586) has the molecular formula C7H5BrClN5S and a molecular weight of 306.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID130857586
Molecular FormulaC7H5BrClN5S
Molecular Weight306.58 g/mol
Exact Mass304.91
IUPAC Name5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(NCc2cnns2)n1
InChIInChI=1S/C7H5BrClN5S/c8-5-3-11-7(9)13-6(5)10-1-4-2-12-14-15-4/h2-3H,1H2,(H,10,11,13)
InChIKeyYCKLUGGOTASRMS-UHFFFAOYSA-N
XLogP2.36
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.58
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine (CID 130857586) is 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine is Clc1ncc(Br)c(NCc2cnns2)n1.
What is the InChIKey of 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is YCKLUGGOTASRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN5S/c8-5-3-11-7(9)13-6(5)10-1-4-2-12-14-15-4/h2-3H,1H2,(H,10,11,13).
What are the key properties of 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 306.58 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 130857586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).